ethyl 2-(hydroxymethyl)-5,7-dimethyl-4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate

Systemtic Name: ethyl 2-(hydroxymethyl)-5,7-dimethyl-4-oxidanylidene-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate Openeye Name: ethyl 2-(hydroxymethyl)-5,7-dimethyl-4-oxo-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate CAS Name: 2-(hydroxymethyl)-5,7-dimethyl-4-oxo-3-[2-(trifluoromethyl)phenyl]-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(hydroxymethyl)-5,7-dimethyl-4-oxo-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylate Traditional Name: 4-keto-5,7-dimethyl-2-methylol-3-[2-(trifluoromethyl)phenyl]quinazoline-6-carboxylic acid ethyl ester Formula: C21H19F3N2O4 MolecularWeight: 420.38177

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3C(F)(F)F)CO)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C1C)N=C(N(C2=O)C3=CC=CC=C3C(F)(F)F)CO)C

InChI

InChI=1S/C21H19F3N2O4/c1-4-30-20(29)17-11(2)9-14-18(12(17)3)19(28)26(16(10-27)25-14)15-8-6-5-7-13(15)21(22,23)24/h5-9,27H,4,10H2,1-3H3