propan-2-yl 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: propan-2-yl 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isopropyl 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester Formula: C28H30BrNO5 MolecularWeight: 540.4455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30BrNO5/c1-15(2)35-28(32)25-16(3)30-21-12-19(17-9-10-23(33-4)24(14-17)34-5)13-22(31)27(21)26(25)18-7-6-8-20(29)11-18/h6-12,14-15,19,26-27,30H,13H2,1-5H3