1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidine-3-carboxylic acid CAS Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)but-2-ynyl]nipecotic acid Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2/c27-24(28)21-10-7-16-25(18-21)15-5-6-17-26-22-11-3-1-8-19(22)13-14-20-9-2-4-12-23(20)26/h1-4,8-9,11-12,21H,7,10,13-18H2,(H,27,28)