3-(4-hexoxyphenyl)-6-pentyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-hexoxyphenyl)-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-hexoxyphenyl)-6-pentyl-phthalonitrile CAS Name: 3-(4-hexoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-hexoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-(4-hexoxyphenyl)phthalonitrile Formula: C25H30N2O MolecularWeight: 374.5185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCCCC)C#N)C#N

InChI

InChI=1S/C25H30N2O/c1-3-5-7-9-17-28-22-14-11-21(12-15-22)23-16-13-20(10-8-6-4-2)24(18-26)25(23)19-27/h11-16H,3-10,17H2,1-2H3