3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[3-(11-benzo[b][1]benzazepinyl)propyl]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-ethoxy-propionic acid Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)O

InChI

InChI=1S/C28H29NO3/c1-2-32-27(28(30)31)20-22-15-13-21(14-16-22)8-7-19-29-25-11-5-3-9-23(25)17-18-24-10-4-6-12-26(24)29/h3-6,9-18,27H,2,7-8,19-20H2,1H3,(H,30,31)