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

Systemtic Name: 3-(4-butoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-[4-(4-propylcyclohexyl)phenyl]phthalonitrile Formula: C33H36N2O MolecularWeight: 476.65174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCCOC1=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/C33H36N2O/c1-3-5-21-36-29-17-15-28(16-18-29)31-20-19-30(32(22-34)33(31)23-35)27-13-11-26(12-14-27)25-9-7-24(6-4-2)8-10-25/h11-20,24-25H,3-10,21H2,1-2H3