1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]nipecotic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCN2C3=CC=CC=C3CCC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C22H26N2O2/c25-22(26)19-8-5-13-23(16-19)14-15-24-20-9-3-1-6-17(20)11-12-18-7-2-4-10-21(18)24/h1-4,6-7,9-10,19H,5,8,11-16H2,(H,25,26)