[1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-(3,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylanilino)-1-oxopropan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC(=C(C=C4)C)C

InChI

InChI=1S/C29H28N2O4/c1-17-10-13-21(14-11-17)25-23-8-6-7-9-24(23)28(33)31(5)26(25)29(34)35-20(4)27(32)30-22-15-12-18(2)19(3)16-22/h6-16,20H,1-5H3,(H,30,32)