[4-(4-heptylphenyl)phenyl] 4-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-heptylphenyl)phenyl] 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid [4-(4-heptylphenyl)phenyl] ester Formula: C32H43NO2 MolecularWeight: 473.68932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C32H43NO2/c1-3-5-7-8-9-11-26-12-14-27(15-13-26)28-16-18-30(19-17-28)35-31(34)29-20-23-32(25-33,24-21-29)22-10-6-4-2/h12-19,29H,3-11,20-24H2,1-2H3