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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCCC)C#N

InChI

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