2-cyano-3-methyl-3-(4-methylphenyl)butanoic acid

Systemtic Name: 2-cyano-3-methyl-3-(4-methylphenyl)butanoic acid Openeye Name: 2-cyano-3-methyl-3-(p-tolyl)butanoic acid CAS Name: 2-cyano-3-methyl-3-(4-methylphenyl)butanoic acid IUPAC Name: 2-cyano-3-methyl-3-(4-methylphenyl)butanoic acid Traditional Name: 2-cyano-3-methyl-3-(p-tolyl)butyric acid Formula: C13H15NO2 MolecularWeight: 217.2637

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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)(C)C(C#N)C(=O)O

InChI

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