[2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [2-[(4-methyl-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylpyrimidin-2-yl)amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [2-keto-2-[(4-methylpyrimidin-2-yl)amino]ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=NC=CC(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=NC=CC(=N2)C

InChI

InChI=1S/C18H19N3O4/c1-12-3-5-14(6-4-12)15(22)7-8-17(24)25-11-16(23)21-18-19-10-9-13(2)20-18/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20,21,23)