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

Systemtic Name: [1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(5-chloro-2-methoxy-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-methoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(5-chloro-2-methoxyanilino)-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-methoxy-phenyl)carbamoyl]propyl ester Formula: C29H27ClN2O5 MolecularWeight: 518.98808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN2O5/c1-5-23(27(33)31-22-16-19(30)14-15-24(22)36-4)37-29(35)26-25(18-12-10-17(2)11-13-18)20-8-6-7-9-21(20)28(34)32(26)3/h6-16,23H,5H2,1-4H3,(H,31,33)