3-(4-butylcyclohexyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butylcyclohexyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butylcyclohexyl)-6-(4-pentoxyphenyl)phthalonitrile CAS Name: 3-(4-butylcyclohexyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butylcyclohexyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-(4-butylcyclohexyl)phthalonitrile Formula: C29H36N2O MolecularWeight: 428.60894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)CCCC)C#N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3CCC(CC3)CCCC)C#N)C#N

InChI

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