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

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-(p-tolylcarbamoyl)propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-(4-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxobutan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-(p-tolylcarbamoyl)propyl ester Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H28N2O4/c1-5-24(27(32)30-21-16-12-19(3)13-17-21)35-29(34)26-25(20-14-10-18(2)11-15-20)22-8-6-7-9-23(22)28(33)31(26)4/h6-17,24H,5H2,1-4H3,(H,30,32)