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

Systemtic Name: (4-butyl-4-cyano-cyclohexyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-butyl-4-cyano-cyclohexyl) 4-(4-butylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-butylcyclohexyl)-1-cyclohexanecarboxylic acid (4-butyl-4-cyanocyclohexyl) ester IUPAC Name: (4-butyl-4-cyanocyclohexyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butylcyclohexyl)cyclohexanecarboxylic acid (4-butyl-4-cyano-cyclohexyl) ester Formula: C28H47NO2 MolecularWeight: 429.67828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)(CCCC)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)(CCCC)C#N

InChI

InChI=1S/C28H47NO2/c1-3-5-7-22-8-10-23(11-9-22)24-12-14-25(15-13-24)27(30)31-26-16-19-28(21-29,20-17-26)18-6-4-2/h22-26H,3-20H2,1-2H3