(2R,3R)-2-cyano-3-(3,4-dimethylphenyl)butanoic acid

Systemtic Name: (2R,3R)-2-cyano-3-(3,4-dimethylphenyl)butanoic acid Openeye Name: (2R,3R)-2-cyano-3-(3,4-dimethylphenyl)butanoic acid CAS Name: (2R,3R)-2-cyano-3-(3,4-dimethylphenyl)butanoic acid IUPAC Name: (2R,3R)-2-cyano-3-(3,4-dimethylphenyl)butanoic acid Traditional Name: (2R,3R)-2-cyano-3-(3,4-dimethylphenyl)butyric acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C(C#N)C(=O)O)C

Isomeric SMILES

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

InChI

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