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

Systemtic Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-hexoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-hexoxyphenyl)phthalonitrile CAS Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-hexoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-hexoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-hexoxyphenyl)phthalonitrile Formula: C32H40N2O MolecularWeight: 468.6728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N2O/c1-3-5-7-8-22-35-26-11-9-25(10-12-26)27-13-14-30(29(24-34)28(27)23-33)32-19-16-31(17-20-32,18-21-32)15-6-4-2/h9-14H,3-8,15-22H2,1-2H3