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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCCC)C#N)C#N

InChI

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