3-[4-(4-butoxyphenyl)cyclohexyl]-2-(1-propyl-4-bicyclo[2.2.2]octanyl)propanenitrile

Systemtic Name: 3-[4-(4-butoxyphenyl)cyclohexyl]-2-(1-propyl-4-bicyclo[2.2.2]octanyl)propanenitrile Openeye Name: 3-[4-(4-butoxyphenyl)cyclohexyl]-2-(1-propyl-4-bicyclo[2.2.2]octanyl)propanenitrile CAS Name: 3-[4-(4-butoxyphenyl)cyclohexyl]-2-(1-propyl-4-bicyclo[2.2.2]octanyl)propanenitrile IUPAC Name: 3-[4-(4-butoxyphenyl)cyclohexyl]-2-(1-propyl-4-bicyclo[2.2.2]octanyl)propanenitrile Traditional Name: 3-[4-(4-butoxyphenyl)cyclohexyl]-2-(1-propyl-4-bicyclo[2.2.2]octanyl)propionitrile Formula: C30H45NO MolecularWeight: 435.6844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CCC(CC2)CC(C#N)C34CCC(CC3)(CC4)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CCC(CC2)CC(C#N)C34CCC(CC3)(CC4)CCC

InChI

InChI=1S/C30H45NO/c1-3-5-21-32-28-12-10-26(11-13-28)25-8-6-24(7-9-25)22-27(23-31)30-18-15-29(14-4-2,16-19-30)17-20-30/h10-13,24-25,27H,3-9,14-22H2,1-2H3