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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCC)C#N

InChI

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