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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (2R)-2-phenoxypropanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (2R)-2-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4/c1-14(27-15-7-3-2-4-8-15)20(25)26-13-18-22-17-10-6-5-9-16(17)19(24)23(18)12-11-21/h2-10,14H,12-13H2,1H3/t14-/m1/s1