2-[4-[4-(4-cyanophenyl)phenyl]cyclohexyl]octanoic acid

Systemtic Name: 2-[4-[4-(4-cyanophenyl)phenyl]cyclohexyl]octanoic acid Openeye Name: 2-[4-[4-(4-cyanophenyl)phenyl]cyclohexyl]octanoic acid CAS Name: 2-[4-[4-(4-cyanophenyl)phenyl]cyclohexyl]octanoic acid IUPAC Name: 2-[4-[4-(4-cyanophenyl)phenyl]cyclohexyl]octanoic acid Traditional Name: 2-[4-[4-(4-cyanophenyl)phenyl]cyclohexyl]caprylic acid Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CCCCCCC(C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C27H33NO2/c1-2-3-4-5-6-26(27(29)30)25-17-15-24(16-18-25)23-13-11-22(12-14-23)21-9-7-20(19-28)8-10-21/h7-14,24-26H,2-6,15-18H2,1H3,(H,29,30)