5-butyl-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carbonitrile

Systemtic Name: 5-butyl-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carbonitrile Openeye Name: 5-butyl-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carbonitrile CAS Name: 5-butyl-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carbonitrile IUPAC Name: 5-butyl-2-(4-pentylcyclohexyl)-1,3-dioxane-5-carbonitrile Traditional Name: 2-(4-amylcyclohexyl)-5-butyl-1,3-dioxane-5-carbonitrile Formula: C20H35NO2 MolecularWeight: 321.4974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2OCC(CO2)(CCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2OCC(CO2)(CCCC)C#N

InChI

InChI=1S/C20H35NO2/c1-3-5-7-8-17-9-11-18(12-10-17)19-22-15-20(14-21,16-23-19)13-6-4-2/h17-19H,3-13,15-16H2,1-2H3