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

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanyl-propyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxy-propyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxy-propyl]isonipecotic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC(CN2C3=CC=CC=C3CCC4=CC=CC=C42)O

Isomeric SMILES

C1CN(CCC1C(=O)O)CC(CN2C3=CC=CC=C3CCC4=CC=CC=C42)O

InChI

InChI=1S/C23H28N2O3/c26-20(15-24-13-11-19(12-14-24)23(27)28)16-25-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)25/h1-8,19-20,26H,9-16H2,(H,27,28)