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

Systemtic Name: ethyl 4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=CC=C3)Br)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(CC(=O)C2C1C3=CC(=CC=C3)Br)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C27H28BrNO5/c1-5-34-27(31)24-15(2)29-20-12-18(16-9-10-22(32-3)23(14-16)33-4)13-21(30)26(20)25(24)17-7-6-8-19(28)11-17/h6-12,14,18,25-26,29H,5,13H2,1-4H3