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

Systemtic Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-phenoxy]methyl]benzoic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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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)OCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)OCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H23N3O4/c1-3-33-25-14-19(7-11-24(25)34-16-18-5-8-20(9-6-18)27(31)32)13-21(15-28)26-29-22-10-4-17(2)12-23(22)30-26/h4-14H,3,16H2,1-2H3,(H,29,30)(H,31,32)