3-pentyl-6-[4-[(4-propylcyclohexyl)methoxy]phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-pentyl-6-[4-[(4-propylcyclohexyl)methoxy]phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-pentyl-6-[4-[(4-propylcyclohexyl)methoxy]phenyl]phthalonitrile CAS Name: 3-pentyl-6-[4-[(4-propylcyclohexyl)methoxy]phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-pentyl-6-[4-[(4-propylcyclohexyl)methoxy]phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-[4-[(4-propylcyclohexyl)methoxy]phenyl]phthalonitrile Formula: C29H36N2O MolecularWeight: 428.60894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC3CCC(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)OCC3CCC(CC3)CCC)C#N)C#N

InChI

InChI=1S/C29H36N2O/c1-3-5-6-8-24-15-18-27(29(20-31)28(24)19-30)25-13-16-26(17-14-25)32-21-23-11-9-22(7-4-2)10-12-23/h13-18,22-23H,3-12,21H2,1-2H3