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

Systemtic Name: 3-ethoxy-6-[2-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-ethoxy-6-[2-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phthalonitrile CAS Name: 3-ethoxy-6-[2-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-ethoxy-6-[2-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-ethoxy-6-[2-[4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]ethyl]phthalonitrile Formula: C29H34N2O MolecularWeight: 426.59306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)CCC4=C(C(=C(C=C4)OCC)C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)CCC4=C(C(=C(C=C4)OCC)C#N)C#N

InChI

InChI=1S/C29H34N2O/c1-3-13-28-14-17-29(18-15-28,19-16-28)24-10-6-22(7-11-24)5-8-23-9-12-27(32-4-2)26(21-31)25(23)20-30/h6-7,9-12H,3-5,8,13-19H2,1-2H3