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

Systemtic Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-hexoxy-benzenecarbonitrile Openeye Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-hexoxy-benzonitrile CAS Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-hexoxybenzonitrile IUPAC Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-hexoxybenzonitrile Traditional Name: 5-(1-butyl-4-bicyclo[2.2.2]octanyl)-2-hexoxy-benzonitrile Formula: C25H37NO MolecularWeight: 367.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CCCC)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CCCC)C#N

InChI

InChI=1S/C25H37NO/c1-3-5-7-8-18-27-23-10-9-22(19-21(23)20-26)25-15-12-24(13-16-25,14-17-25)11-6-4-2/h9-10,19H,3-8,11-18H2,1-2H3