(4-pentylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate

Systemtic Name: (4-pentylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-pentylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Traditional Name: 2-(4-amylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylic acid (4-amylcyclohexyl) ester Formula: C28H47NO4 MolecularWeight: 461.67708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2OCC(CO2)(C#N)C(=O)OC3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2OCC(CO2)(C#N)C(=O)OC3CCC(CC3)CCCCC

InChI

InChI=1S/C28H47NO4/c1-3-5-7-9-22-11-15-24(16-12-22)26-31-20-28(19-29,21-32-26)27(30)33-25-17-13-23(14-18-25)10-8-6-4-2/h22-26H,3-18,20-21H2,1-2H3