[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-(4-allyl-2-methoxy-phenoxy)acetate CAS Name: 2-(2-methoxy-4-prop-2-enylphenoxy)acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-3-6-16-9-10-19(20(13-16)29-2)30-15-22(27)31-14-21-25-18-8-5-4-7-17(18)23(28)26(21)12-11-24/h3-5,7-10,13H,1,6,12,14-15H2,2H3