5-(4-heptylphenyl)-1-benzofuran-2-carbonitrile

Systemtic Name: 5-(4-heptylphenyl)-1-benzofuran-2-carbonitrile Openeye Name: 5-(4-heptylphenyl)benzofuran-2-carbonitrile CAS Name: 5-(4-heptylphenyl)-2-benzofurancarbonitrile IUPAC Name: 5-(4-heptylphenyl)-1-benzofuran-2-carbonitrile Traditional Name: 5-(4-heptylphenyl)coumarilonitrile Formula: C22H23NO MolecularWeight: 317.42412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)C#N

InChI

InChI=1S/C22H23NO/c1-2-3-4-5-6-7-17-8-10-18(11-9-17)19-12-13-22-20(14-19)15-21(16-23)24-22/h8-15H,2-7H2,1H3