4-(1-cyano-2-methyl-propyl)benzoic acid

Systemtic Name: 4-(1-cyano-2-methyl-propyl)benzoic acid Openeye Name: 4-(1-cyano-2-methyl-propyl)benzoic acid CAS Name: 4-(1-cyano-2-methylpropyl)benzoic acid IUPAC Name: 4-(1-cyano-2-methylpropyl)benzoic acid Traditional Name: 4-(1-cyano-2-methyl-propyl)benzoic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-8(2)11(7-13)9-3-5-10(6-4-9)12(14)15/h3-6,8,11H,1-2H3,(H,14,15)