ethyl 4-oxidanyl-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 4-oxidanyl-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl 6-(3-benzyloxyphenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate CAS Name: 4-hydroxy-2-oxo-6-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-2-oxo-6-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate Traditional Name: 6-(3-benzoxyphenyl)-4-hydroxy-2-keto-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21F3N2O5 MolecularWeight: 438.39705

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21F3N2O5/c1-2-30-18(27)16-17(25-19(28)26-20(16,29)21(22,23)24)14-9-6-10-15(11-14)31-12-13-7-4-3-5-8-13/h3-11,16-17,29H,2,12H2,1H3,(H2,25,26,28)