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

Systemtic Name: 3-(4-pentoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(4-pentoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]phthalonitrile CAS Name: 3-(4-pentoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-pentoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]phthalonitrile Formula: C34H38N2O MolecularWeight: 490.67832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

InChI

InChI=1S/C34H38N2O/c1-3-5-6-22-37-30-18-16-29(17-19-30)32-21-20-31(33(23-35)34(32)24-36)28-14-12-27(13-15-28)26-10-8-25(7-4-2)9-11-26/h12-21,25-26H,3-11,22H2,1-2H3