3-cyano-4-(2-methylbutyl)benzoic acid

Systemtic Name: 3-cyano-4-(2-methylbutyl)benzoic acid Openeye Name: 3-cyano-4-(2-methylbutyl)benzoic acid CAS Name: 3-cyano-4-(2-methylbutyl)benzoic acid IUPAC Name: 3-cyano-4-(2-methylbutyl)benzoic acid Traditional Name: 3-cyano-4-(2-methylbutyl)benzoic acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-3-9(2)6-10-4-5-11(13(15)16)7-12(10)8-14/h4-5,7,9H,3,6H2,1-2H3,(H,15,16)