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

Systemtic Name: 4-[[2-bromanyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenoxy]methyl]benzoic acid Formula: C25H18BrN3O3 MolecularWeight: 488.33272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18BrN3O3/c1-15-2-8-21-22(10-15)29-24(28-21)19(13-27)11-17-5-9-23(20(26)12-17)32-14-16-3-6-18(7-4-16)25(30)31/h2-12H,14H2,1H3,(H,28,29)(H,30,31)