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

Systemtic Name: 3-(4-heptoxyphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptoxyphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)phthalonitrile CAS Name: 3-(4-heptoxyphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptoxyphenyl)-6-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(1-amyl-4-bicyclo[2.2.2]octanyl)-6-(4-heptoxyphenyl)phthalonitrile Formula: C34H44N2O MolecularWeight: 496.72596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C34CCC(CC3)(CC4)CCCCC)C#N)C#N

InChI

InChI=1S/C34H44N2O/c1-3-5-7-8-10-24-37-28-13-11-27(12-14-28)29-15-16-32(31(26-36)30(29)25-35)34-21-18-33(19-22-34,20-23-34)17-9-6-4-2/h11-16H,3-10,17-24H2,1-2H3