2,2,2-tris(fluoranyl)ethyl 6-methyl-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 6-methyl-2-oxidanylidene-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-(4-benzyloxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 6-methyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC(F)(F)F

InChI

InChI=1S/C21H19F3N2O4/c1-13-17(19(27)30-12-21(22,23)24)18(26-20(28)25-13)15-7-9-16(10-8-15)29-11-14-5-3-2-4-6-14/h2-10,18H,11-12H2,1H3,(H2,25,26,28)