2-[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxyphenoxy]acetate IUPAC Name: 2-[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-phenoxy]acetate Formula: C21H18N3O4- MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C)OCC(=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-3-27-19-10-14(5-7-18(19)28-12-20(25)26)9-15(11-22)21-23-16-6-4-13(2)8-17(16)24-21/h4-10H,3,12H2,1-2H3,(H,23,24)(H,25,26)/p-1/b15-9+