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

Systemtic Name: (2R,3R)-2-cyano-3-(4-fluoranyl-3-methyl-phenyl)butanoate Openeye Name: (2R,3R)-2-cyano-3-(4-fluoro-3-methyl-phenyl)butanoate CAS Name: (2R,3R)-2-cyano-3-(4-fluoro-3-methylphenyl)butanoate IUPAC Name: (2R,3R)-2-cyano-3-(4-fluoro-3-methylphenyl)butanoate Traditional Name: (2R,3R)-2-cyano-3-(4-fluoro-3-methyl-phenyl)butyrate Formula: C12H11FNO2- MolecularWeight: 220.219643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)C(C#N)C(=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](C)[C@H](C#N)C(=O)[O-])F

InChI

InChI=1S/C12H12FNO2/c1-7-5-9(3-4-11(7)13)8(2)10(6-14)12(15)16/h3-5,8,10H,1-2H3,(H,15,16)/p-1/t8-,10-/m0/s1