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

Systemtic Name: [1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl] 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C28H25ClN2O5 MolecularWeight: 504.9615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C28H25ClN2O5/c1-16-9-11-18(12-10-16)24-20-7-5-6-8-21(20)27(33)31(3)25(24)28(34)36-17(2)26(32)30-19-13-14-23(35-4)22(29)15-19/h5-15,17H,1-4H3,(H,30,32)