[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(2,5-dimethylphenyl)carbamoyl]propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxobutan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-[(2,5-dimethylphenyl)carbamoyl]propyl ester Formula: C29H27ClN2O4 MolecularWeight: 502.98868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2O4/c1-5-24(27(33)31-23-16-17(2)10-11-18(23)3)36-29(35)26-25(19-12-14-20(30)15-13-19)21-8-6-7-9-22(21)28(34)32(26)4/h6-16,24H,5H2,1-4H3,(H,31,33)