[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl)C

InChI

InChI=1S/C20H21ClN2O4/c1-12-4-5-15(10-13(12)2)17(24)7-9-19(25)27-14(3)20(26)23-18-8-6-16(21)11-22-18/h4-6,8,10-11,14H,7,9H2,1-3H3,(H,22,23,26)