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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)OCCCC)C#N)C#N

InChI

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