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

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C20H17F3N2O4 MolecularWeight: 406.35519

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC(F)(F)F

InChI

InChI=1S/C20H17F3N2O4/c1-12-16(18(26)28-11-20(21,22)23)17(25-19(27)24-12)13-6-5-9-15(10-13)29-14-7-3-2-4-8-14/h2-10,17H,11H2,1H3,(H2,24,25,27)