ethyl (3R)-1-[2-(2-benzo[b][1]benzazepin-11-ylethoxy)ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-(2-benzo[b][1]benzazepin-11-ylethoxy)ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-(2-benzo[b][1]benzazepin-11-ylethoxy)ethyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-[2-(11-benzo[b][1]benzazepinyl)ethoxy]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-(2-benzo[b][1]benzazepin-11-ylethoxy)ethyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-(2-benzo[b][1]benzazepin-11-ylethoxy)ethyl]nipecotic acid ethyl ester Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCOCCN2C3=CC=CC=C3C=CC4=CC=CC=C42

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)CCOCCN2C3=CC=CC=C3C=CC4=CC=CC=C42

InChI

InChI=1S/C26H32N2O3/c1-2-31-26(29)23-10-7-15-27(20-23)16-18-30-19-17-28-24-11-5-3-8-21(24)13-14-22-9-4-6-12-25(22)28/h3-6,8-9,11-14,23H,2,7,10,15-20H2,1H3/t23-/m1/s1