2-[4-(cyanomethyl)phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-(cyanomethyl)phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-(cyanomethyl)phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-(cyanomethyl)phenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-(cyanomethyl)phenyl]-2-methylpropanoic acid Traditional Name: 2-[4-(cyanomethyl)phenyl]-2-methyl-propionic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2/c1-12(2,11(14)15)10-5-3-9(4-6-10)7-8-13/h3-6H,7H2,1-2H3,(H,14,15)