1-[2-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidyl]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidinyl]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidino]ethyl]nipecotic acid Formula: C27H32N2O2S MolecularWeight: 448.62018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCN2CCC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)CC2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCN2CCC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)CC2)C(=O)O

InChI

InChI=1S/C27H32N2O2S/c30-27(31)21-7-5-13-29(18-21)17-16-28-14-11-20(12-15-28)26-23-8-2-1-6-22(23)19-32-25-10-4-3-9-24(25)26/h1-4,6,8-10,21H,5,7,11-19H2,(H,30,31)