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

Systemtic Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] ester Formula: C34H59NO2 MolecularWeight: 513.83776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H59NO2/c1-3-5-7-9-11-13-28-14-16-31(17-15-28)33(36)37-32-20-18-29(19-21-32)30-22-25-34(27-35,26-23-30)24-12-10-8-6-4-2/h28-32H,3-26H2,1-2H3