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

Systemtic Name: (2-cyanophenyl)methyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: (2-cyanophenyl)methyl 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyric acid (2-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=C3C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)OCC3=CC=CC=C3C#N)OC

InChI

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