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

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-(3-ethoxy-4-oxidanyl-phenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 4-(3-ethoxy-4-hydroxy-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C16H17F3N2O5 MolecularWeight: 374.31179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC(F)(F)F)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC(F)(F)F)O

InChI

InChI=1S/C16H17F3N2O5/c1-3-25-11-6-9(4-5-10(11)22)13-12(8(2)20-15(24)21-13)14(23)26-7-16(17,18)19/h4-6,13,22H,3,7H2,1-2H3,(H2,20,21,24)