[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate CAS Name: (2R)-2-(4-fluorophenoxy)propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (2R)-2-(4-fluorophenoxy)propanoate Traditional Name: (2R)-2-(4-fluorophenoxy)propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H16FN3O4 MolecularWeight: 381.357143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)OC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C(=O)OCC1=NC2=CC=CC=C2C(=O)N1CC#N)OC3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O4/c1-13(28-15-8-6-14(21)7-9-15)20(26)27-12-18-23-17-5-3-2-4-16(17)19(25)24(18)11-10-22/h2-9,13H,11-12H2,1H3/t13-/m1/s1