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

Systemtic Name: (4-heptylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-heptylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate CAS Name: 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 5-cyano-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carboxylate Traditional Name: 2-(4-amylcyclohexyl)-5-cyano-1,3-dioxane-5-carboxylic acid (4-heptylcyclohexyl) ester Formula: C30H51NO4 MolecularWeight: 489.73024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51NO4/c1-3-5-7-8-10-12-25-15-19-27(20-16-25)35-29(32)30(21-31)22-33-28(34-23-30)26-17-13-24(14-18-26)11-9-6-4-2/h24-28H,3-20,22-23H2,1-2H3