[7-acetyloxy-6,9-dimethyl-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate

Systemtic Name: [7-acetyloxy-6,9-dimethyl-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate Openeye Name: (7-acetoxy-3-benzyl-6,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate CAS Name: acetic acid [7-acetyloxy-6,9-dimethyl-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester IUPAC Name: (7-acetyloxy-3-benzyl-6,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate Traditional Name: acetic acid (7-acetoxy-3-benzyl-6,9-dimethyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) ester Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1CCN(CC2C3=CC=CC=C3)CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1CCN(CC2C3=CC=CC=C3)CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C

InChI

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