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

Systemtic Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)phthalonitrile CAS Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-butyl-4-bicyclo[2.2.2]octanyl)-6-(4-methoxyphenyl)phthalonitrile Formula: C27H30N2O MolecularWeight: 398.5399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O/c1-3-4-11-26-12-15-27(16-13-26,17-14-26)25-10-9-22(23(18-28)24(25)19-29)20-5-7-21(30-2)8-6-20/h5-10H,3-4,11-17H2,1-2H3