[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-fluoranyl-4-methoxy-benzoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C19H14FN3O4 MolecularWeight: 367.330563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14FN3O4/c1-26-16-7-6-12(10-14(16)20)19(25)27-11-17-22-15-5-3-2-4-13(15)18(24)23(17)9-8-21/h2-7,10H,9,11H2,1H3