2-pentyl-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzenecarbonitrile

Systemtic Name: 2-pentyl-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzenecarbonitrile Openeye Name: 2-pentyl-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile CAS Name: 2-pentyl-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile IUPAC Name: 2-pentyl-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile Traditional Name: 2-amyl-5-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)cyclohexyl]benzonitrile Formula: C31H47N MolecularWeight: 433.71158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C2CCC(CC2)C34CCC(CC3)(CC4)CCCCC)C#N

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C2CCC(CC2)C34CCC(CC3)(CC4)CCCCC)C#N

InChI

InChI=1S/C31H47N/c1-3-5-7-9-25-10-11-27(23-28(25)24-32)26-12-14-29(15-13-26)31-20-17-30(18-21-31,19-22-31)16-8-6-4-2/h10-11,23,26,29H,3-9,12-22H2,1-2H3