1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxidanylidene-propyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxo-propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-oxopropyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-propyl]nipecotic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C23H26N2O3/c26-22(13-15-24-14-5-8-19(16-24)23(27)28)25-20-9-3-1-6-17(20)11-12-18-7-2-4-10-21(18)25/h1-4,6-7,9-10,19H,5,8,11-16H2,(H,27,28)