2-butoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-butoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzenecarbonitrile Openeye Name: 2-butoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile CAS Name: 2-butoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile IUPAC Name: 2-butoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Traditional Name: 2-butoxy-5-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzonitrile Formula: C28H35NO MolecularWeight: 401.5836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N

InChI

InChI=1S/C28H35NO/c1-3-5-19-30-26-11-8-23(20-24(26)21-29)22-6-9-25(10-7-22)28-16-13-27(12-4-2,14-17-28)15-18-28/h6-11,20H,3-5,12-19H2,1-2H3