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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)C(C#N)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C)[C@H](C#N)C(=O)O

InChI

InChI=1S/C13H15NO2/c1-3-10-4-6-11(7-5-10)9(2)12(8-14)13(15)16/h4-7,9,12H,3H2,1-2H3,(H,15,16)/t9-,12-/m0/s1