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

Systemtic Name: methyl 7,8-diacetyloxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Openeye Name: methyl 7,8-diacetoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate CAS Name: 7,8-diacetyloxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester IUPAC Name: methyl 7,8-diacetyloxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylate Traditional Name: 7,8-diacetoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-9-carboxylic acid methyl ester Formula: C22H23NO6 MolecularWeight: 397.42112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=CC=C3)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C(=C2CCNCC(C2=C1)C3=CC=CC=C3)C(=O)OC)OC(=O)C

InChI

InChI=1S/C22H23NO6/c1-13(24)28-19-11-17-16(20(22(26)27-3)21(19)29-14(2)25)9-10-23-12-18(17)15-7-5-4-6-8-15/h4-8,11,18,23H,9-10,12H2,1-3H3