2-[5-(cyanomethyl)-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-(cyanomethyl)-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-(cyanomethyl)-2-methyl-phenyl]acetic acid CAS Name: 2-[5-(cyanomethyl)-2-methylphenyl]acetic acid IUPAC Name: 2-[5-(cyanomethyl)-2-methylphenyl]acetic acid Traditional Name: 2-[5-(cyanomethyl)-2-methyl-phenyl]acetic acid Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2/c1-8-2-3-9(4-5-12)6-10(8)7-11(13)14/h2-3,6H,4,7H2,1H3,(H,13,14)