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

Systemtic Name: (4-heptylcyclohexyl) 2-(4-butylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylate Openeye Name: (4-heptylcyclohexyl) 2-(4-butylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylate CAS Name: 2-(4-butylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 2-(4-butylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylate Traditional Name: 2-(4-butylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylic acid (4-heptylcyclohexyl) ester Formula: C29H49NO4 MolecularWeight: 475.70366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO4/c1-3-5-7-8-9-11-24-14-18-26(19-15-24)34-28(31)29(20-30)21-32-27(33-22-29)25-16-12-23(13-17-25)10-6-4-2/h23-27H,3-19,21-22H2,1-2H3