(5-cyano-2-fluoranyl-phenyl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid (5-cyano-2-fluoro-benzyl) ester Formula: C19H16FNO3 MolecularWeight: 325.333643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC2=C(C=CC(=C2)C#N)F

InChI

InChI=1S/C19H16FNO3/c1-13-2-5-15(6-3-13)18(22)8-9-19(23)24-12-16-10-14(11-21)4-7-17(16)20/h2-7,10H,8-9,12H2,1H3