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

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxidanylidene-propyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxo-propyl]piperidine-3-carboxylic acid CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxopropyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methyl-3-oxopropyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-keto-2-methyl-propyl]nipecotic acid Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC(C1)C(=O)O)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CC(CN1CCCC(C1)C(=O)O)C(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C24H28N2O3/c1-17(15-25-14-6-9-20(16-25)24(28)29)23(27)26-21-10-4-2-7-18(21)12-13-19-8-3-5-11-22(19)26/h2-5,7-8,10-11,17,20H,6,9,12-16H2,1H3,(H,28,29)