(2R,3R)-2-cyano-3-(2,5-dimethylphenyl)butanoate

Systemtic Name: (2R,3R)-2-cyano-3-(2,5-dimethylphenyl)butanoate Openeye Name: (2R,3R)-2-cyano-3-(2,5-dimethylphenyl)butanoate CAS Name: (2R,3R)-2-cyano-3-(2,5-dimethylphenyl)butanoate IUPAC Name: (2R,3R)-2-cyano-3-(2,5-dimethylphenyl)butanoate Traditional Name: (2R,3R)-2-cyano-3-(2,5-dimethylphenyl)butyrate Formula: C13H14NO2- MolecularWeight: 216.25576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-8-4-5-9(2)11(6-8)10(3)12(7-14)13(15)16/h4-6,10,12H,1-3H3,(H,15,16)/p-1/t10-,12-/m0/s1