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

Systemtic Name: 3-butoxy-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phthalonitrile CAS Name: 3-butoxy-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-butoxy-6-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]phthalonitrile Formula: C29H34N2O MolecularWeight: 426.59306

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O/c1-3-5-19-32-27-11-10-24(25(20-30)26(27)21-31)22-6-8-23(9-7-22)29-16-13-28(12-4-2,14-17-29)15-18-29/h6-11H,3-5,12-19H2,1-2H3