1-cyano-2-[4-(4-hexylphenyl)phenyl]-3-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-cyano-2-[4-(4-hexylphenyl)phenyl]-3-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-cyano-2-[4-(4-hexylphenyl)phenyl]-3-methyl-cyclohexanecarboxylic acid CAS Name: 1-cyano-2-[4-(4-hexylphenyl)phenyl]-3-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-cyano-2-[4-(4-hexylphenyl)phenyl]-3-methylcyclohexane-1-carboxylic acid Traditional Name: 1-cyano-2-[4-(4-hexylphenyl)phenyl]-3-methyl-cyclohexanecarboxylic acid Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3C(CCCC3(C#N)C(=O)O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3C(CCCC3(C#N)C(=O)O)C

InChI

InChI=1S/C27H33NO2/c1-3-4-5-6-9-21-10-12-22(13-11-21)23-14-16-24(17-15-23)25-20(2)8-7-18-27(25,19-28)26(29)30/h10-17,20,25H,3-9,18H2,1-2H3,(H,29,30)