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

Systemtic Name: [1-[(4-ethoxycarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(4-ethoxycarbonylanilino)-1-methyl-2-oxo-ethyl] 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinecarboxylic acid [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxycarbonylanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid [2-(4-carbethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C29H25ClN2O6 MolecularWeight: 532.9716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H25ClN2O6/c1-4-37-28(35)19-11-15-21(16-12-19)31-26(33)17(2)38-29(36)25-24(18-9-13-20(30)14-10-18)22-7-5-6-8-23(22)27(34)32(25)3/h5-17H,4H2,1-3H3,(H,31,33)