4-[3-cyano-4-(2-methylbutyl)phenyl]benzoic acid

Systemtic Name: 4-[3-cyano-4-(2-methylbutyl)phenyl]benzoic acid Openeye Name: 4-[3-cyano-4-(2-methylbutyl)phenyl]benzoic acid CAS Name: 4-[3-cyano-4-(2-methylbutyl)phenyl]benzoic acid IUPAC Name: 4-[3-cyano-4-(2-methylbutyl)phenyl]benzoic acid Traditional Name: 4-[3-cyano-4-(2-methylbutyl)phenyl]benzoic acid Formula: C19H19NO2 MolecularWeight: 293.35966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO2/c1-3-13(2)10-16-8-9-17(11-18(16)12-20)14-4-6-15(7-5-14)19(21)22/h4-9,11,13H,3,10H2,1-2H3,(H,21,22)