4-(3-cyano-4-octan-2-yloxy-phenyl)benzoic acid

Systemtic Name: 4-(3-cyano-4-octan-2-yloxy-phenyl)benzoic acid Openeye Name: 4-[3-cyano-4-(1-methylheptoxy)phenyl]benzoic acid CAS Name: 4-(3-cyano-4-octan-2-yloxyphenyl)benzoic acid IUPAC Name: 4-(3-cyano-4-octan-2-yloxyphenyl)benzoic acid Traditional Name: 4-[3-cyano-4-(1-methylheptoxy)phenyl]benzoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)C#N

InChI

InChI=1S/C22H25NO3/c1-3-4-5-6-7-16(2)26-21-13-12-19(14-20(21)15-23)17-8-10-18(11-9-17)22(24)25/h8-14,16H,3-7H2,1-2H3,(H,24,25)