methyl 4-[3-(4-chlorophenyl)-4-methyl-5-(4-methylphenyl)carbonyl-2-oxidanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 4-[3-(4-chlorophenyl)-4-methyl-5-(4-methylphenyl)carbonyl-2-oxidanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 4-[3-(4-chlorophenyl)-4-methyl-5-(4-methylbenzoyl)-2-oxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 4-[3-(4-chlorophenyl)-4-methyl-5-[(4-methylphenyl)-oxomethyl]-2-oxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4-chlorophenyl)-4-methyl-5-(4-methylbenzoyl)-2-oxo-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 4-[3-(4-chlorophenyl)-2-keto-4-methyl-5-p-toluoyl-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C27H23ClN2O4 MolecularWeight: 474.93552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(N(C(=O)NC2C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(N(C(=O)NC2C3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H23ClN2O4/c1-16-4-6-19(7-5-16)25(31)23-17(2)30(22-14-12-21(28)13-15-22)27(33)29-24(23)18-8-10-20(11-9-18)26(32)34-3/h4-15,24H,1-3H3,(H,29,33)