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

Systemtic Name: [1-[(2-methoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(2-methoxycarbonylanilino)-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-(2-methoxycarbonylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxycarbonylanilino)-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-(2-carbomethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C29H26N2O6 MolecularWeight: 498.52654

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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=CC=C4C(=O)OC

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=CC=C4C(=O)OC

InChI

InChI=1S/C29H26N2O6/c1-17-13-15-19(16-14-17)24-20-9-5-6-10-21(20)27(33)31(3)25(24)29(35)37-18(2)26(32)30-23-12-8-7-11-22(23)28(34)36-4/h5-16,18H,1-4H3,(H,30,32)