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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-4-hexyl-cyclohexane-1-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-4-hexyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-hexyl-1-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-4-hexylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-hexyl-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester Formula: C27H47NO2 MolecularWeight: 417.66758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47NO2/c1-3-5-7-9-10-12-23-13-15-25(16-14-23)30-26(29)24-17-20-27(22-28,21-18-24)19-11-8-6-4-2/h23-25H,3-21H2,1-2H3