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1-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperidine-3-carboxylic acid
1-[(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperidine-3-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CC(CN(C1)CCC=C2C3=CC=CC=C3CSC4=CC=CC=C42)C(=O)O
Isomeric SMILES
C1CC(CN(C1)CC/C=C\2/C3=CC=CC=C3CSC4=CC=CC=C42)C(=O)O
InChI
InChI=1S/C23H25NO2S/c25-23(26)17-8-5-13-24(15-17)14-6-11-20-19-9-2-1-7-18(19)16-27-22-12-4-3-10-21(20)22/h1-4,7,9-12,17H,5-6,8,13-16H2,(H,25,26)/b20-11-
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