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

Systemtic Name: 2-octoxy-5-(1-propyl-4-bicyclo[2.2.2]octanyl)benzenecarbonitrile Openeye Name: 2-octoxy-5-(1-propyl-4-bicyclo[2.2.2]octanyl)benzonitrile CAS Name: 2-octoxy-5-(1-propyl-4-bicyclo[2.2.2]octanyl)benzonitrile IUPAC Name: 2-octoxy-5-(1-propyl-4-bicyclo[2.2.2]octanyl)benzonitrile Traditional Name: 2-octoxy-5-(1-propyl-4-bicyclo[2.2.2]octanyl)benzonitrile Formula: C26H39NO MolecularWeight: 381.59396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C23CCC(CC2)(CC3)CCC)C#N

InChI

InChI=1S/C26H39NO/c1-3-5-6-7-8-9-19-28-24-11-10-23(20-22(24)21-27)26-16-13-25(12-4-2,14-17-26)15-18-26/h10-11,20H,3-9,12-19H2,1-2H3