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

Systemtic Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-ethoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-ethoxyphenyl)phthalonitrile CAS Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-ethoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-ethoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-p-phenetyl-phthalonitrile Formula: C28H32N2O MolecularWeight: 412.56648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O/c1-3-5-12-27-13-16-28(17-14-27,18-15-27)26-11-10-23(24(19-29)25(26)20-30)21-6-8-22(9-7-21)31-4-2/h6-11H,3-5,12-18H2,1-2H3