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

Systemtic Name: 2-hexoxy-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-hexoxy-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-hexoxy-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-hexoxy-5-[4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 5-[4-(1-amyl-4-bicyclo[2.2.2]octanyl)phenyl]-2-hexoxy-benzonitrile Formula: C32H43NO MolecularWeight: 457.68992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N

InChI

InChI=1S/C32H43NO/c1-3-5-7-9-23-34-30-15-12-27(24-28(30)25-33)26-10-13-29(14-11-26)32-20-17-31(18-21-32,19-22-32)16-8-6-4-2/h10-15,24H,3-9,16-23H2,1-2H3