2-[2-cyano-2-(3-methylphenyl)ethyl]benzoic acid

Systemtic Name: 2-[2-cyano-2-(3-methylphenyl)ethyl]benzoic acid Openeye Name: 2-[2-cyano-2-(m-tolyl)ethyl]benzoic acid CAS Name: 2-[2-cyano-2-(3-methylphenyl)ethyl]benzoic acid IUPAC Name: 2-[2-cyano-2-(3-methylphenyl)ethyl]benzoic acid Traditional Name: 2-[2-cyano-2-(m-tolyl)ethyl]benzoic acid Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC2=CC=CC=C2C(=O)O)C#N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC2=CC=CC=C2C(=O)O)C#N

InChI

InChI=1S/C17H15NO2/c1-12-5-4-7-13(9-12)15(11-18)10-14-6-2-3-8-16(14)17(19)20/h2-9,15H,10H2,1H3,(H,19,20)