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

Systemtic Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperidine-4-carboxylic acid CAS Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]isonipecotic acid Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CCC=C2C3=CC=CC=C3CSC4=CC=CC=C42

Isomeric SMILES

C1CN(CCC1C(=O)O)CC/C=C/2\C3=CC=CC=C3CSC4=CC=CC=C42

InChI

InChI=1S/C23H25NO2S/c25-23(26)17-11-14-24(15-12-17)13-5-9-20-19-7-2-1-6-18(19)16-27-22-10-4-3-8-21(20)22/h1-4,6-10,17H,5,11-16H2,(H,25,26)/b20-9+