methyl 4-cyano-3,4-bis(3-fluorophenyl)butanoate

Systemtic Name: methyl 4-cyano-3,4-bis(3-fluorophenyl)butanoate Openeye Name: methyl 4-cyano-3,4-bis(3-fluorophenyl)butanoate CAS Name: 4-cyano-3,4-bis(3-fluorophenyl)butanoic acid methyl ester IUPAC Name: methyl 4-cyano-3,4-bis(3-fluorophenyl)butanoate Traditional Name: 4-cyano-3,4-bis(3-fluorophenyl)butyric acid methyl ester Formula: C18H15F2NO2 MolecularWeight: 315.314006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC(=CC=C1)F)C(C#N)C2=CC(=CC=C2)F

Isomeric SMILES

COC(=O)CC(C1=CC(=CC=C1)F)C(C#N)C2=CC(=CC=C2)F

InChI

InChI=1S/C18H15F2NO2/c1-23-18(22)10-16(12-4-2-6-14(19)8-12)17(11-21)13-5-3-7-15(20)9-13/h2-9,16-17H,10H2,1H3