[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 4-(4-methoxyphenoxy)butanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H21N3O5/c1-28-16-8-10-17(11-9-16)29-14-4-7-21(26)30-15-20-24-19-6-3-2-5-18(19)22(27)25(20)13-12-23/h2-3,5-6,8-11H,4,7,13-15H2,1H3