(4-heptylcyclohexyl) 4-cyano-4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-4-(4-hexylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-cyano-4-(4-hexylcyclohexyl)-1-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-4-(4-hexylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-(4-hexylcyclohexyl)cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester Formula: C33H57NO2 MolecularWeight: 499.81118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(C#N)C3CCC(CC3)CCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(C#N)C3CCC(CC3)CCCCCC

InChI

InChI=1S/C33H57NO2/c1-3-5-7-9-11-13-28-16-20-31(21-17-28)36-32(35)29-22-24-33(26-34,25-23-29)30-18-14-27(15-19-30)12-10-8-6-4-2/h27-31H,3-25H2,1-2H3