3-butyl-6-[4-(4-propoxyphenyl)phenyl]benzene-1,2-dicarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCC)C#N)C#N

InChI

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