4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-hexyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-hexyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-hexyl-cyclohexanecarbonitrile CAS Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-hexyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-hexylcyclohexane-1-carbonitrile Traditional Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-hexyl-cyclohexanecarbonitrile Formula: C28H49N MolecularWeight: 399.69536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3CCC(CC3)(CCCCCC)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3CCC(CC3)(CCCCCC)C#N

InChI

InChI=1S/C28H49N/c1-3-5-7-9-11-14-26-18-21-28(22-19-26,23-20-26)25-12-16-27(24-29,17-13-25)15-10-8-6-4-2/h25H,3-23H2,1-2H3