2-cyano-2-[4-(2-methylpropyl)phenyl]ethanoic acid

Systemtic Name: 2-cyano-2-[4-(2-methylpropyl)phenyl]ethanoic acid Openeye Name: 2-cyano-2-(4-isobutylphenyl)acetic acid CAS Name: 2-cyano-2-[4-(2-methylpropyl)phenyl]acetic acid IUPAC Name: 2-cyano-2-[4-(2-methylpropyl)phenyl]acetic acid Traditional Name: 2-cyano-2-(4-isobutylphenyl)acetic acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-9(2)7-10-3-5-11(6-4-10)12(8-14)13(15)16/h3-6,9,12H,7H2,1-2H3,(H,15,16)