(2R,3R)-2-cyano-3-(4-methylphenyl)butanoate

Systemtic Name: (2R,3R)-2-cyano-3-(4-methylphenyl)butanoate Openeye Name: (2R,3R)-2-cyano-3-(p-tolyl)butanoate CAS Name: (2R,3R)-2-cyano-3-(4-methylphenyl)butanoate IUPAC Name: (2R,3R)-2-cyano-3-(4-methylphenyl)butanoate Traditional Name: (2R,3R)-2-cyano-3-(p-tolyl)butyrate Formula: C12H12NO2- MolecularWeight: 202.22918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-8-3-5-10(6-4-8)9(2)11(7-13)12(14)15/h3-6,9,11H,1-2H3,(H,14,15)/p-1/t9-,11-/m0/s1