[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-propan-2-yloxybenzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-propan-2-yloxybenzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H19N3O4/c1-14(2)28-16-9-7-15(8-10-16)21(26)27-13-19-23-18-6-4-3-5-17(18)20(25)24(19)12-11-22/h3-10,14H,12-13H2,1-2H3