[4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-benzamidopropanoate

Systemtic Name: [4-oxidanylidene-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-benzamidopropanoate Openeye Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-benzamidopropanoate CAS Name: 3-benzamidopropanoic acid [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester IUPAC Name: [4-oxo-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl 3-benzamidopropanoate Traditional Name: 3-benzamidopropionic acid [4-keto-7-(trifluoromethyl)-1H-quinazolin-2-yl]methyl ester Formula: C20H16F3N3O4 MolecularWeight: 419.35395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N3O4/c21-20(22,23)13-6-7-14-15(10-13)25-16(26-19(14)29)11-30-17(27)8-9-24-18(28)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,24,28)(H,25,26,29)