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

Systemtic Name: (4-butylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-butylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-butylcyclohexyl) ester IUPAC Name: (4-butylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Traditional Name: 2-(4-amylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylic acid (4-butylcyclohexyl) ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO4/c1-3-5-7-9-22-10-14-23(15-11-22)25-30-19-27(18-28,20-31-25)26(29)32-24-16-12-21(13-17-24)8-6-4-2/h21-25H,3-17,19-20H2,1-2H3