3-(4-ethoxyphenyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-ethoxyphenyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(4-ethoxyphenyl)-6-[4-(4-pentylcyclohexyl)phenyl]phthalonitrile CAS Name: 3-(4-ethoxyphenyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-ethoxyphenyl)-6-[4-(4-pentylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-amylcyclohexyl)phenyl]-6-p-phenetyl-phthalonitrile Formula: C33H36N2O MolecularWeight: 476.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4=CC=C(C=C4)OCC)C#N)C#N

InChI

InChI=1S/C33H36N2O/c1-3-5-6-7-24-8-10-25(11-9-24)26-12-14-27(15-13-26)30-20-21-31(33(23-35)32(30)22-34)28-16-18-29(19-17-28)36-4-2/h12-21,24-25H,3-11H2,1-2H3