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

Systemtic Name: (4-ethylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-ethylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-ethylcyclohexyl) ester IUPAC Name: (4-ethylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Traditional Name: 2-(4-amylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylic acid (4-ethylcyclohexyl) ester Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41NO4/c1-3-5-6-7-20-8-12-21(13-9-20)23-28-17-25(16-26,18-29-23)24(27)30-22-14-10-19(4-2)11-15-22/h19-23H,3-15,17-18H2,1-2H3