[1-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(5-chloro-2,4-dimethoxy-phenyl)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-(5-chloro-2,4-dimethoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(5-chloro-2,4-dimethoxyanilino)-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-[(5-chloro-2,4-dimethoxy-phenyl)carbamoyl]propyl ester Formula: C30H29ClN2O6 MolecularWeight: 549.01406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)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=C1OC)OC)Cl)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H29ClN2O6/c1-6-23(28(34)32-22-15-21(31)24(37-4)16-25(22)38-5)39-30(36)27-26(18-13-11-17(2)12-14-18)19-9-7-8-10-20(19)29(35)33(27)3/h7-16,23H,6H2,1-5H3,(H,32,34)