[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester Formula: C20H15F3N2O4 MolecularWeight: 404.33931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2O4/c21-20(22,23)13-6-7-14-15(10-13)24-17(25-19(14)28)11-29-18(27)9-8-16(26)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,24,25,28)