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

Systemtic Name: 3-ethyl-6-[4-(4-pentoxyphenyl)phenyl]benzene-1,2-dicarbonitrile Openeye Name: 3-ethyl-6-[4-(4-pentoxyphenyl)phenyl]phthalonitrile CAS Name: 3-ethyl-6-[4-(4-pentoxyphenyl)phenyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-ethyl-6-[4-(4-pentoxyphenyl)phenyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[4-(4-amoxyphenyl)phenyl]-6-ethyl-phthalonitrile Formula: C27H26N2O MolecularWeight: 394.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CC)C#N)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)CC)C#N)C#N

InChI

InChI=1S/C27H26N2O/c1-3-5-6-17-30-24-14-11-22(12-15-24)21-7-9-23(10-8-21)25-16-13-20(4-2)26(18-28)27(25)19-29/h7-16H,3-6,17H2,1-2H3