(3-cyanophenyl)methyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: (3-cyanophenyl)methyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: (3-cyanophenyl)methyl 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyric acid (3-cyanobenzyl) ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)OCC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)OCC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C22H21N3O5/c1-28-19-10-17-18(11-20(19)29-2)24-14-25(22(17)27)8-4-7-21(26)30-13-16-6-3-5-15(9-16)12-23/h3,5-6,9-11,14H,4,7-8,13H2,1-2H3