3-(4-butoxyphenyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile

Systemtic Name: 3-(4-butoxyphenyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Openeye Name: 3-(4-butoxyphenyl)-6-(4-pentoxyphenyl)phthalonitrile CAS Name: 3-(4-butoxyphenyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile IUPAC Name: 3-(4-butoxyphenyl)-6-(4-pentoxyphenyl)benzene-1,2-dicarbonitrile Traditional Name: 3-(4-amoxyphenyl)-6-(4-butoxyphenyl)phthalonitrile Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O2/c1-3-5-7-19-33-25-14-10-23(11-15-25)27-17-16-26(28(20-30)29(27)21-31)22-8-12-24(13-9-22)32-18-6-4-2/h8-17H,3-7,18-19H2,1-2H3