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

Systemtic Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-propoxy-propanoic acid Openeye Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-propoxy-propanoic acid CAS Name: 3-[4-[3-(11-benzo[b][1]benzazepinyl)propyl]phenyl]-2-propoxypropanoic acid IUPAC Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-propoxypropanoic acid Traditional Name: 3-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)phenyl]-2-propoxy-propionic acid Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO3/c1-2-20-33-28(29(31)32)21-23-15-13-22(14-16-23)8-7-19-30-26-11-5-3-9-24(26)17-18-25-10-4-6-12-27(25)30/h3-6,9-18,28H,2,7-8,19-21H2,1H3,(H,31,32)