[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2Cl)C)C

InChI

InChI=1S/C21H22ClNO4/c1-13-4-6-16(7-5-13)18(24)8-9-20(26)27-12-19(25)23-21-15(3)10-14(2)11-17(21)22/h4-7,10-11H,8-9,12H2,1-3H3,(H,23,25)