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

Systemtic Name: 3-(4-hexoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-hexoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-hexoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-hexoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-hexoxyphenyl)-6-(1-propyl-4-bicyclo[2.2.2]octanyl)phthalonitrile Formula: C31H38N2O MolecularWeight: 454.64622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCC)C#N)C#N

InChI

InChI=1S/C31H38N2O/c1-3-5-6-7-21-34-25-10-8-24(9-11-25)26-12-13-29(28(23-33)27(26)22-32)31-18-15-30(14-4-2,16-19-31)17-20-31/h8-13H,3-7,14-21H2,1-2H3