56928188 -OEChem-10101305032D 46 48 0 1 0 0 0 0 0999 V2000 2.0000 -3.7885 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 4.4605 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5366 -3.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8424 -3.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 0.9964 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9128 -0.9521 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1716 0.0138 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3776 -2.1952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -1.7885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7448 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0036 -0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -3.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 2.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7445 -4.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0018 -1.5657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1432 -0.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8958 -2.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 -1.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5327 -2.2935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3361 -1.8974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 -0.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9489 -0.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5949 -0.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2156 -0.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 2.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 1.4639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 2.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 3.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4601 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 -4.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8734 -5.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3510 -4.3316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 1 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 1 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M ISO 1 1 123 M END > 56928188 > 1 > 414 > 4 > 0 > 6 > AAADceB6MQAAAgAAAAAAAAAAAAAAAWAAAAA8QAAABgAAAAABAAAAHwAgAAAADSjDmAYyCIMABACIAiDSCAACAAAgAAAIiAEIAIgIIDqAkRCEIAAmgACIiAeY2eOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > methyl (3S,4S)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate > (3S,4S)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester > methyl (3S,4S)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate > methyl (3S,4S)-8-(3-fluoranylpropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate > (3S,4S)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester > InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14?,15-,16?,17+/m1/s1/i20-4 > HXWLAJVUJSVENX-PUMJCJFRSA-N > 4 > 427.076871 > C18H23FINO2 > 427.284712 > COC(=O)C1C2CCC(N2CCCF)CC1C3=CC=C(C=C3)I > COC(=O)[C@H]1[C@H](CC2CCC1N2CCCF)C3=CC=C(C=C3)[123I] > 29.5 > 427.076871 > 0 > 23 > 2 > 2 > 0 > 0 > 1 > 1 > 1 > 1 5 255 > 14 17 8 14 18 8 17 20 8 18 21 8 20 22 8 21 22 8 6 10 3 7 12 3 8 15 5 9 14 5 $$$$