10666657
  -OEChem-10101305022D

 52 55  0     1  0  0  0  0  0999 V2000
    2.8660    0.2819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    3.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    4.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800   -3.2874    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821   -2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -1.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4762   -4.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5820    1.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3403   -4.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6082   -4.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3741    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4800    1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6301    1.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4884    2.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134    2.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    3.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    4.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5957   -3.3486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9922   -2.6557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9729   -2.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3640   -3.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9858   -1.8263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786   -1.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0143   -3.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0282   -5.3264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3003   -4.2459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0701   -5.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162   -5.3221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8760   -5.1028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6524   -4.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9074   -0.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9203    1.6383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0992    1.5237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0265    3.2441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0807    4.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500    4.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7229    5.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101    4.4116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 26  1  0  0  0  0
  2 14  1  0  0  0  0
  2 45  1  0  0  0  0
  3 24  1  0  0  0  0
  3 27  1  0  0  0  0
  4 25  1  0  0  0  0
  4 49  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
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  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
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  7 29  1  0  0  0  0
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  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 24  1  0  0  0  0
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 23 25  1  0  0  0  0
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 26 47  1  0  0  0  0
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 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10666657

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
515

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAADxVAAAHgAACAAADCzBmAYyBsMABgCAAiBCAACCCAAgIAAIiAAOjIgNJiKGsRuEcCtmwBGLuAew8P4O4AADAAAYQADAAAYAADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-isopropyl-9,11-dimethoxy-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol

> <PUBCHEM_IUPAC_CAS_NAME>
9,11-dimethoxy-2-propan-2-yl-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol

> <PUBCHEM_IUPAC_NAME>
9,11-dimethoxy-2-propan-2-yl-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
9,11-dimethoxy-2-propan-2-yl-3,4-dihydro-1H-naphtho[2,1-f]isoquinoline-8,12-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-isopropyl-9,11-dimethoxy-3,4-dihydro-1H-naphth[2,1-f]isoquinoline-8,12-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H25NO4/c1-12(2)23-8-7-14-15-6-5-13-9-18(24)19(26-3)10-16(13)20(15)22(27-4)21(25)17(14)11-23/h5-6,9-10,12,24-25H,7-8,11H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
AWJWBWOWUNPLTO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
367.178358

> <PUBCHEM_MOLECULAR_FORMULA>
C22H25NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
367.4382

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N1CCC2=C(C1)C(=C(C3=C2C=CC4=CC(=C(C=C43)OC)O)OC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N1CCC2=C(C1)C(=C(C3=C2C=CC4=CC(=C(C=C43)OC)O)OC)O

> <PUBCHEM_CACTVS_TPSA>
62.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.178358

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
76

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
12  13  8
12  19  8
13  15  8
13  16  8
14  15  8
16  20  8
16  22  8
19  21  8
20  21  8
20  23  8
22  24  8
23  25  8
24  25  8
6  10  8
6  12  8

$$$$