4-pentyl-1-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carbonitrile

Systemtic Name: 4-pentyl-1-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carbonitrile Openeye Name: 4-pentyl-1-(5-pentyl-1,3-dioxan-2-yl)cyclohexanecarbonitrile CAS Name: 4-pentyl-1-(5-pentyl-1,3-dioxan-2-yl)-1-cyclohexanecarbonitrile IUPAC Name: 4-pentyl-1-(5-pentyl-1,3-dioxan-2-yl)cyclohexane-1-carbonitrile Traditional Name: 4-amyl-1-(5-amyl-1,3-dioxan-2-yl)cyclohexanecarbonitrile Formula: C21H37NO2 MolecularWeight: 335.52398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37NO2/c1-3-5-7-9-18-11-13-21(17-22,14-12-18)20-23-15-19(16-24-20)10-8-6-4-2/h18-20H,3-16H2,1-2H3