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

Systemtic Name: (4-heptylcyclohexyl) 4-(4-butylcyclohexyl)-4-cyano-cyclohexane-1-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-(4-butylcyclohexyl)-4-cyano-cyclohexanecarboxylate CAS Name: 4-(4-butylcyclohexyl)-4-cyano-1-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-(4-butylcyclohexyl)-4-cyanocyclohexane-1-carboxylate Traditional Name: 4-(4-butylcyclohexyl)-4-cyano-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester Formula: C31H53NO2 MolecularWeight: 471.75802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53NO2/c1-3-5-7-8-9-11-26-14-18-29(19-15-26)34-30(33)27-20-22-31(24-32,23-21-27)28-16-12-25(13-17-28)10-6-4-2/h25-29H,3-23H2,1-2H3