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

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(4-ethoxycarbonylphenyl)carbamoyl]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-ethoxycarbonylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylanilino)-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-[(4-carbethoxyphenyl)carbamoyl]propyl ester Formula: C31H30N2O6 MolecularWeight: 526.5797

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H30N2O6/c1-5-25(28(34)32-22-17-15-21(16-18-22)30(36)38-6-2)39-31(37)27-26(20-13-11-19(3)12-14-20)23-9-7-8-10-24(23)29(35)33(27)4/h7-18,25H,5-6H2,1-4H3,(H,32,34)