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

Systemtic Name: 3-pentyl-6-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]phthalonitrile CAS Name: 3-pentyl-6-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[(1-pentyl-4-bicyclo[2.2.2]octanyl)methoxy]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[(1-amyl-4-bicyclo[2.2.2]octanyl)methoxy]phthalonitrile Formula: C27H38N2O MolecularWeight: 406.60342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OCC23CCC(CC2)(CC3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OCC23CCC(CC2)(CC3)CCCCC)C#N)C#N

InChI

InChI=1S/C27H38N2O/c1-3-5-7-9-22-10-11-25(24(20-29)23(22)19-28)30-21-27-16-13-26(14-17-27,15-18-27)12-8-6-4-2/h10-11H,3-9,12-18,21H2,1-2H3