methyl 2-[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-iodanyl-6-methoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-iodanyl-6-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2-iodo-6-methoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-iodo-6-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]-2-iodo-6-methoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-2-cyano-2-(5,6-dimethyl-1H-benzimidazol-2-yl)vinyl]-2-iodo-6-methoxy-phenoxy]acetic acid methyl ester Formula: C22H20IN3O4 MolecularWeight: 517.31637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC(=C(C(=C3)I)OCC(=O)OC)OC)/C#N

InChI

InChI=1S/C22H20IN3O4/c1-12-5-17-18(6-13(12)2)26-22(25-17)15(10-24)7-14-8-16(23)21(19(9-14)28-3)30-11-20(27)29-4/h5-9H,11H2,1-4H3,(H,25,26)/b15-7+