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

Systemtic Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-propoxy-propyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-propoxy-propyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-propoxypropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-propoxypropyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-propoxy-propyl]isonipecotic acid Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CN1CCC(CC1)C(=O)O)CN2C3=CC=CC=C3CCC4=CC=CC=C42

Isomeric SMILES

CCCOC(CN1CCC(CC1)C(=O)O)CN2C3=CC=CC=C3CCC4=CC=CC=C42

InChI

InChI=1S/C26H34N2O3/c1-2-17-31-23(18-27-15-13-22(14-16-27)26(29)30)19-28-24-9-5-3-7-20(24)11-12-21-8-4-6-10-25(21)28/h3-10,22-23H,2,11-19H2,1H3,(H,29,30)