2-[4-bromanyl-2-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetic acid CAS Name: 2-[4-bromo-2-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-[2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]phenoxy]acetic acid Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=C(C=CC(=C3)Br)OCC(=O)O)C#N

InChI

InChI=1S/C20H16BrN3O3/c1-11-5-16-17(6-12(11)2)24-20(23-16)14(9-22)7-13-8-15(21)3-4-18(13)27-10-19(25)26/h3-8H,10H2,1-2H3,(H,23,24)(H,25,26)