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

Systemtic Name: 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-iodo-phenoxy]acetic acid CAS Name: 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-iodophenoxy]acetic acid IUPAC Name: 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-iodophenoxy]acetic acid Traditional Name: 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-iodo-phenoxy]acetic acid Formula: C19H14IN3O3 MolecularWeight: 459.23723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14IN3O3/c1-11-2-4-15-16(6-11)23-19(22-15)13(9-21)7-12-3-5-17(14(20)8-12)26-10-18(24)25/h2-8H,10H2,1H3,(H,22,23)(H,24,25)