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

Systemtic Name: 4-[[4-bromanyl-2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-[(Z)-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=C(C=CC(=C3)Br)OCC4=CC=C(C=C4)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H18BrN3O3/c1-15-2-8-21-22(10-15)29-24(28-21)19(13-27)11-18-12-20(26)7-9-23(18)32-14-16-3-5-17(6-4-16)25(30)31/h2-12H,14H2,1H3,(H,28,29)(H,30,31)/b19-11-