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

Systemtic Name: 3-(4-heptoxyphenyl)-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-(4-heptoxyphenyl)-6-pentyl-phthalonitrile CAS Name: 3-(4-heptoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-(4-heptoxyphenyl)-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-(4-heptoxyphenyl)phthalonitrile Formula: C26H32N2O MolecularWeight: 388.54508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=C(C(=C(C=C2)CCCCC)C#N)C#N

InChI

InChI=1S/C26H32N2O/c1-3-5-7-8-10-18-29-23-15-12-22(13-16-23)24-17-14-21(11-9-6-4-2)25(19-27)26(24)20-28/h12-17H,3-11,18H2,1-2H3