methyl 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate

Systemtic Name: methyl 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Openeye Name: methyl 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate CAS Name: 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Traditional Name: 7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)OC)OC)C(=O)OC

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)OC)OC)C(=O)OC

InChI

InChI=1S/C21H25NO4/c1-22-11-10-15-16(17(13-22)14-8-6-5-7-9-14)12-18(24-2)20(25-3)19(15)21(23)26-4/h5-9,12,17H,10-11,13H2,1-4H3