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

Systemtic Name: 3-ethoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-ethoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]phthalonitrile CAS Name: 3-ethoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-ethoxy-6-[2-(1-pentyl-4-bicyclo[2.2.2]octanyl)ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[2-(1-amyl-4-bicyclo[2.2.2]octanyl)ethyl]-6-ethoxy-phthalonitrile Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)OCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)CCC3=C(C(=C(C=C3)OCC)C#N)C#N

InChI

InChI=1S/C25H34N2O/c1-3-5-6-10-24-12-15-25(16-13-24,17-14-24)11-9-20-7-8-23(28-4-2)22(19-27)21(20)18-26/h7-8H,3-6,9-17H2,1-2H3