2-cyano-4-methyl-3-(phenylmethyl)benzoic acid

Systemtic Name: 2-cyano-4-methyl-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-2-cyano-4-methyl-benzoic acid CAS Name: 2-cyano-4-methyl-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-2-cyano-4-methylbenzoic acid Traditional Name: 3-benzyl-2-cyano-4-methyl-benzoic acid Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)C#N)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)C#N)CC2=CC=CC=C2

InChI

InChI=1S/C16H13NO2/c1-11-7-8-13(16(18)19)15(10-17)14(11)9-12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H,18,19)