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

Systemtic Name: 2-[2-bromanyl-4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-methoxy-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-methoxyphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-methoxy-phenoxy]acetic acid Formula: C20H16BrN3O4 MolecularWeight: 442.26274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)Br)OCC(=O)O)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C(=C3)Br)OCC(=O)O)OC)/C#N

InChI

InChI=1S/C20H16BrN3O4/c1-11-3-4-15-16(5-11)24-20(23-15)13(9-22)6-12-7-14(21)19(17(8-12)27-2)28-10-18(25)26/h3-8H,10H2,1-2H3,(H,23,24)(H,25,26)/b13-6+