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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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