3-butoxy-6-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-butoxy-6-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]phthalonitrile CAS Name: 3-butoxy-6-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-butoxy-6-[2-(1-propyl-4-bicyclo[2.2.2]octanyl)ethyl]phthalonitrile Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)CCC23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)CCC23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C25H34N2O/c1-3-5-17-28-23-7-6-20(21(18-26)22(23)19-27)8-10-25-14-11-24(9-4-2,12-15-25)13-16-25/h6-7H,3-5,8-17H2,1-2H3