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

Systemtic Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-1-heptyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-1-heptyl-cyclohexanecarbonitrile CAS Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-1-heptyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-1-heptylcyclohexane-1-carbonitrile Traditional Name: 4-(1-butyl-4-bicyclo[2.2.2]octanyl)-1-heptyl-cyclohexanecarbonitrile Formula: C26H45N MolecularWeight: 371.6422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C23CCC(CC2)(CC3)CCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C23CCC(CC2)(CC3)CCCC)C#N

InChI

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