(4-butyl-4-cyano-cyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-butyl-4-cyano-cyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-butyl-4-cyano-cyclohexyl) 4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (4-butyl-4-cyanocyclohexyl) ester IUPAC Name: (4-butyl-4-cyanocyclohexyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylcyclohexyl)cyclohexanecarboxylic acid (4-butyl-4-cyano-cyclohexyl) ester Formula: C29H49NO2 MolecularWeight: 443.70486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C29H49NO2/c1-3-5-7-8-23-9-11-24(12-10-23)25-13-15-26(16-14-25)28(31)32-27-17-20-29(22-30,21-18-27)19-6-4-2/h23-27H,3-21H2,1-2H3