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

Systemtic Name: 3-butoxy-6-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Openeye Name: 3-butoxy-6-[2-[2-(4-pentylphenyl)phenyl]ethyl]phthalonitrile CAS Name: 3-butoxy-6-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-butoxy-6-[2-[2-(4-pentylphenyl)phenyl]ethyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[2-[2-(4-amylphenyl)phenyl]ethyl]-6-butoxy-phthalonitrile Formula: C31H34N2O MolecularWeight: 450.61446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=C(C(=C(C=C3)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2CCC3=C(C(=C(C=C3)OCCCC)C#N)C#N

InChI

InChI=1S/C31H34N2O/c1-3-5-7-10-24-13-15-26(16-14-24)28-12-9-8-11-25(28)17-18-27-19-20-31(34-21-6-4-2)30(23-33)29(27)22-32/h8-9,11-16,19-20H,3-7,10,17-18,21H2,1-2H3