methyl 4-[5-(4-methoxyphenyl)carbonyl-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate

Systemtic Name: methyl 4-[5-(4-methoxyphenyl)carbonyl-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Openeye Name: methyl 4-[6-hydroxy-5-(4-methoxybenzoyl)-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoate CAS Name: 4-[6-hydroxy-5-[(4-methoxyphenyl)-oxomethyl]-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-hydroxy-5-(4-methoxybenzoyl)-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate Traditional Name: 4-[6-hydroxy-2-keto-5-p-anisoyl-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid methyl ester Formula: C21H19F3N2O6 MolecularWeight: 452.38057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19F3N2O6/c1-31-14-9-7-12(8-10-14)17(27)15-16(11-3-5-13(6-4-11)18(28)32-2)25-19(29)26-20(15,30)21(22,23)24/h3-10,15-16,30H,1-2H3,(H2,25,26,29)