3-[3-(4-heptylcyclohexyl)propoxy]-6-[2-(4-pentylcyclohexyl)ethyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-[3-(4-heptylcyclohexyl)propoxy]-6-[2-(4-pentylcyclohexyl)ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-[3-(4-heptylcyclohexyl)propoxy]-6-[2-(4-pentylcyclohexyl)ethyl]phthalonitrile CAS Name: 3-[3-(4-heptylcyclohexyl)propoxy]-6-[2-(4-pentylcyclohexyl)ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-[3-(4-heptylcyclohexyl)propoxy]-6-[2-(4-pentylcyclohexyl)ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[2-(4-amylcyclohexyl)ethyl]-6-[3-(4-heptylcyclohexyl)propoxy]phthalonitrile Formula: C37H58N2O MolecularWeight: 546.86922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCCOC2=C(C(=C(C=C2)CCC3CCC(CC3)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCCOC2=C(C(=C(C=C2)CCC3CCC(CC3)CCCCC)C#N)C#N

InChI

InChI=1S/C37H58N2O/c1-3-5-7-8-10-13-31-15-17-32(18-16-31)14-11-27-40-37-26-25-34(35(28-38)36(37)29-39)24-23-33-21-19-30(20-22-33)12-9-6-4-2/h25-26,30-33H,3-24,27H2,1-2H3