methyl (3S)-4-cyano-3-(4-fluorophenyl)butanoate

Systemtic Name: methyl (3S)-4-cyano-3-(4-fluorophenyl)butanoate Openeye Name: methyl (3S)-4-cyano-3-(4-fluorophenyl)butanoate CAS Name: (3S)-4-cyano-3-(4-fluorophenyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-4-cyano-3-(4-fluorophenyl)butanoate Traditional Name: (3S)-4-cyano-3-(4-fluorophenyl)butyric acid methyl ester Formula: C12H12FNO2 MolecularWeight: 221.227583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C[C@H](CC#N)C1=CC=C(C=C1)F

InChI

InChI=1S/C12H12FNO2/c1-16-12(15)8-10(6-7-14)9-2-4-11(13)5-3-9/h2-5,10H,6,8H2,1H3/t10-/m0/s1