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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O/c1-3-5-6-7-14-30-15-18-31(19-16-30,20-17-30)29-13-12-26(27(22-32)28(29)23-33)24-8-10-25(11-9-24)34-21-4-2/h8-13H,3-7,14-21H2,1-2H3