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

Systemtic Name: ethyl 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-iodanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-iodo-phenoxy]acetate CAS Name: 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-iodophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-iodophenoxy]acetate Traditional Name: 2-[4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-iodo-phenoxy]acetic acid ethyl ester Formula: C21H18IN3O3 MolecularWeight: 487.29039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I

InChI

InChI=1S/C21H18IN3O3/c1-3-27-20(26)12-28-19-7-5-14(10-16(19)22)9-15(11-23)21-24-17-6-4-13(2)8-18(17)25-21/h4-10H,3,12H2,1-2H3,(H,24,25)