2-methylpropyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C29H33NO5 MolecularWeight: 475.57602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)OCC(C)C

InChI

InChI=1S/C29H33NO5/c1-17(2)16-35-29(32)26-18(3)30-22-13-21(19-9-7-6-8-10-19)14-23(31)28(22)27(26)20-11-12-24(33-4)25(15-20)34-5/h6-13,15,17,21,27-28,30H,14,16H2,1-5H3