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

Systemtic Name: 1-[3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]propyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidyl]propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)-1-piperidinyl]propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidin-1-yl]propyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-[4-(6H-benzo[c][1]benzothiepin-11-ylidene)piperidino]propyl]nipecotic acid Formula: C28H34N2O2S MolecularWeight: 462.64676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCCN2CCC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)CC2)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCCN2CCC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)CC2)C(=O)O

InChI

InChI=1S/C28H34N2O2S/c31-28(32)22-8-5-14-30(19-22)16-6-15-29-17-12-21(13-18-29)27-24-9-2-1-7-23(24)20-33-26-11-4-3-10-25(26)27/h1-4,7,9-11,22H,5-6,8,12-20H2,(H,31,32)