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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCC)C#N)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCC)C#N)C#N

InChI

InChI=1S/C31H38N2O/c1-3-5-6-7-8-15-30-16-19-31(20-17-30,21-18-30)29-14-13-26(27(22-32)28(29)23-33)24-9-11-25(12-10-24)34-4-2/h9-14H,3-8,15-21H2,1-2H3