[4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-octoxy-benzoate

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-octoxy-benzoate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-octoxy-benzoate CAS Name: 3-cyano-4-octoxybenzoic acid [4-(4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-octoxybenzoate Traditional Name: 3-cyano-4-octoxy-benzoic acid [4-(4-amylcyclohexyl)cyclohexyl] ester Formula: C33H51NO3 MolecularWeight: 509.76294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)C#N

InChI

InChI=1S/C33H51NO3/c1-3-5-7-8-9-11-23-36-32-22-19-29(24-30(32)25-34)33(35)37-31-20-17-28(18-21-31)27-15-13-26(14-16-27)12-10-6-4-2/h19,22,24,26-28,31H,3-18,20-21,23H2,1-2H3