3-ethyl-6-[4-(4-heptoxyphenyl)phenyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-ethyl-6-[4-(4-heptoxyphenyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-ethyl-6-[4-(4-heptoxyphenyl)phenyl]phthalonitrile CAS Name: 3-ethyl-6-[4-(4-heptoxyphenyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-ethyl-6-[4-(4-heptoxyphenyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-ethyl-6-[4-(4-heptoxyphenyl)phenyl]phthalonitrile Formula: C29H30N2O MolecularWeight: 422.5613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CC)C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CC)C#N)C#N

InChI

InChI=1S/C29H30N2O/c1-3-5-6-7-8-19-32-26-16-13-24(14-17-26)23-9-11-25(12-10-23)27-18-15-22(4-2)28(20-30)29(27)21-31/h9-18H,3-8,19H2,1-2H3