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

Systemtic Name: 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid Formula: C24H17N3O3 MolecularWeight: 395.41008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17N3O3/c25-14-19(23-26-20-6-2-3-7-21(20)27-23)13-18-5-1-4-8-22(18)30-15-16-9-11-17(12-10-16)24(28)29/h1-13H,15H2,(H,26,27)(H,28,29)/b19-13+