4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C25H19N3O4 MolecularWeight: 425.43606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19N3O4/c1-31-23-13-17(12-19(14-26)24-27-20-4-2-3-5-21(20)28-24)8-11-22(23)32-15-16-6-9-18(10-7-16)25(29)30/h2-13H,15H2,1H3,(H,27,28)(H,29,30)/b19-12+