4-(4-cyano-4-pentyl-cyclohexyl)benzoic acid

Systemtic Name: 4-(4-cyano-4-pentyl-cyclohexyl)benzoic acid Openeye Name: 4-(4-cyano-4-pentyl-cyclohexyl)benzoic acid CAS Name: 4-(4-cyano-4-pentylcyclohexyl)benzoic acid IUPAC Name: 4-(4-cyano-4-pentylcyclohexyl)benzoic acid Traditional Name: 4-(4-amyl-4-cyano-cyclohexyl)benzoic acid Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C19H25NO2/c1-2-3-4-11-19(14-20)12-9-16(10-13-19)15-5-7-17(8-6-15)18(21)22/h5-8,16H,2-4,9-13H2,1H3,(H,21,22)