[4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-(4-amyl-4-cyano-cyclohexyl)cyclohexyl] ester Formula: C32H55NO2 MolecularWeight: 485.7846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C32H55NO2/c1-3-5-7-8-9-11-26-12-14-29(15-13-26)31(34)35-30-18-16-27(17-19-30)28-20-23-32(25-33,24-21-28)22-10-6-4-2/h26-30H,3-24H2,1-2H3