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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OC)C#N)C#N

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OC)C#N)C#N

InChI

InChI=1S/C29H34N2O/c1-3-4-5-6-13-28-14-17-29(18-15-28,19-16-28)27-12-11-24(25(20-30)26(27)21-31)22-7-9-23(32-2)10-8-22/h7-12H,3-6,13-19H2,1-2H3