(4-cyano-2-fluoranyl-phenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid (4-cyano-2-fluoro-benzyl) ester Formula: C20H18FNO5 MolecularWeight: 371.359023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=C(C=C(C=C2)C#N)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=C(C=C(C=C2)C#N)F)OC

InChI

InChI=1S/C20H18FNO5/c1-25-18-7-5-14(10-19(18)26-2)17(23)6-8-20(24)27-12-15-4-3-13(11-22)9-16(15)21/h3-5,7,9-10H,6,8,12H2,1-2H3