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

Systemtic Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-heptyl-4-bicyclo[2.2.2]octanyl)-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-(1-heptyl-4-bicyclo[2.2.2]octanyl)cyclohexanecarbonitrile Formula: C27H47N MolecularWeight: 385.66878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H47N/c1-3-5-7-8-10-13-25-17-20-27(21-18-25,22-19-25)24-11-15-26(23-28,16-12-24)14-9-6-4-2/h24H,3-22H2,1-2H3