3-cyano-2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 3-cyano-2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 3-cyano-2-(4-isobutylphenyl)propanoic acid CAS Name: 3-cyano-2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 3-cyano-2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 3-cyano-2-(4-isobutylphenyl)propionic acid Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-10(2)9-11-3-5-12(6-4-11)13(7-8-15)14(16)17/h3-6,10,13H,7,9H2,1-2H3,(H,16,17)