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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3=C(C(=C(C=C3)OCCCC)C#N)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=CC=C2C3=C(C(=C(C=C3)OCCCC)C#N)C#N

InChI

InChI=1S/C29H30N2O/c1-3-5-7-10-22-13-15-23(16-14-22)24-11-8-9-12-25(24)26-17-18-29(32-19-6-4-2)28(21-31)27(26)20-30/h8-9,11-18H,3-7,10,19H2,1-2H3