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

Systemtic Name: 4-(1-hexyl-4-bicyclo[2.2.2]octanyl)-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-hexyl-4-bicyclo[2.2.2]octanyl)-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-(1-hexyl-4-bicyclo[2.2.2]octanyl)-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-hexyl-4-bicyclo[2.2.2]octanyl)-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-(1-hexyl-4-bicyclo[2.2.2]octanyl)cyclohexanecarbonitrile Formula: C26H45N MolecularWeight: 371.6422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C26H45N/c1-3-5-7-9-12-24-16-19-26(20-17-24,21-18-24)23-10-14-25(22-27,15-11-23)13-8-6-4-2/h23H,3-21H2,1-2H3