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

Systemtic Name: 3-(4-butoxyphenyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-(4-propylcyclohexyl)phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-(4-propylcyclohexyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-butoxyphenyl)-6-(4-propylcyclohexyl)phthalonitrile Formula: C27H32N2O MolecularWeight: 400.55578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)CCC)C#N)C#N

InChI

InChI=1S/C27H32N2O/c1-3-5-17-30-23-13-11-22(12-14-23)25-16-15-24(26(18-28)27(25)19-29)21-9-7-20(6-4-2)8-10-21/h11-16,20-21H,3-10,17H2,1-2H3