2-cyano-4-pentyl-benzoic acid

Systemtic Name: 2-cyano-4-pentyl-benzoic acid Openeye Name: 2-cyano-4-pentyl-benzoic acid CAS Name: 2-cyano-4-pentylbenzoic acid IUPAC Name: 2-cyano-4-pentylbenzoic acid Traditional Name: 4-amyl-2-cyano-benzoic acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C13H15NO2/c1-2-3-4-5-10-6-7-12(13(15)16)11(8-10)9-14/h6-8H,2-5H2,1H3,(H,15,16)