methyl 4-methyl-2-oxidanylidene-3-(phenylmethyl)-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-methyl-2-oxidanylidene-3-(phenylmethyl)-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-benzyl-4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-3-(phenylmethyl)-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-4-methyl-2-oxo-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-2-keto-4-methyl-6-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19F3N2O3 MolecularWeight: 404.38237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C21H19F3N2O3/c1-13-17(19(27)29-2)18(15-9-6-10-16(11-15)21(22,23)24)25-20(28)26(13)12-14-7-4-3-5-8-14/h3-11,18H,12H2,1-2H3,(H,25,28)