propan-2-yl 1,1-dimethyl-3-(4-phenylmethoxyphenyl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 1,1-dimethyl-3-(4-phenylmethoxyphenyl)carbonyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(4-benzyloxybenzoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo-(4-phenylmethoxyphenyl)methyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-(4-phenylmethoxybenzoyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-benzoxybenzoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C32H32N2O4 MolecularWeight: 508.60748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)OC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H32N2O4/c1-21(2)38-31(36)26-18-34(20-32(3,4)28-25-12-8-9-13-27(25)33-29(26)28)30(35)23-14-16-24(17-15-23)37-19-22-10-6-5-7-11-22/h5-18,21,33H,19-20H2,1-4H3