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

Systemtic Name: 1-[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-2-yl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-2-yl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-2-yl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-methyl-ethyl]nipecotic acid Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C23H28N2O2/c1-17(24-14-6-9-20(16-24)23(26)27)15-25-21-10-4-2-7-18(21)12-13-19-8-3-5-11-22(19)25/h2-5,7-8,10-11,17,20H,6,9,12-16H2,1H3,(H,26,27)