(4-cyano-2-fluoranyl-phenyl)methyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)butanoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butyric acid (4-cyano-2-fluoro-benzyl) ester Formula: C22H20FN3O5 MolecularWeight: 425.409703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN3O5/c1-29-19-9-16-18(10-20(19)30-2)25-13-26(22(16)28)7-3-4-21(27)31-12-15-6-5-14(11-24)8-17(15)23/h5-6,8-10,13H,3-4,7,12H2,1-2H3