3-[[2-chloranyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-methoxy-phenoxy]methyl]benzoic acid Formula: C26H20ClN3O4 MolecularWeight: 473.9077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=CC(=C4)C(=O)O)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=CC(=C4)C(=O)O)OC)C#N

InChI

InChI=1S/C26H20ClN3O4/c1-15-6-7-21-22(8-15)30-25(29-21)19(13-28)10-17-11-20(27)24(23(12-17)33-2)34-14-16-4-3-5-18(9-16)26(31)32/h3-12H,14H2,1-2H3,(H,29,30)(H,31,32)