(5-cyano-2-fluoranyl-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C20H16FNO5 MolecularWeight: 369.343143

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C20H16FNO5/c21-16-3-1-13(11-22)9-15(16)12-27-20(24)6-4-17(23)14-2-5-18-19(10-14)26-8-7-25-18/h1-3,5,9-10H,4,6-8,12H2