3-[cyano(phenyl)methyl]-4-methyl-benzoic acid

Systemtic Name: 3-[cyano(phenyl)methyl]-4-methyl-benzoic acid Openeye Name: 3-[cyano(phenyl)methyl]-4-methyl-benzoic acid CAS Name: 3-[cyano(phenyl)methyl]-4-methylbenzoic acid IUPAC Name: 3-[cyano(phenyl)methyl]-4-methylbenzoic acid Traditional Name: 3-[cyano(phenyl)methyl]-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(C#N)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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