[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCC(=O)C2=CC=C(C=C2)Cl

InChI

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