ethyl 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-ethoxy-propanoate

Systemtic Name: ethyl 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-ethoxy-propanoate Openeye Name: ethyl 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-ethoxy-propanoate CAS Name: 3-[4-[2-(11-benzo[b][1]benzazepinyl)ethoxy]phenyl]-2-ethoxypropanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-ethoxypropanoate Traditional Name: 3-[4-(2-benzo[b][1]benzazepin-11-ylethoxy)phenyl]-2-ethoxy-propionic acid ethyl ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)OCC

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)C(=O)OCC

InChI

InChI=1S/C29H31NO4/c1-3-32-28(29(31)33-4-2)21-22-13-17-25(18-14-22)34-20-19-30-26-11-7-5-9-23(26)15-16-24-10-6-8-12-27(24)30/h5-18,28H,3-4,19-21H2,1-2H3