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

Systemtic Name: 2-[4-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-6-iodo-phenoxy]acetic acid CAS Name: 2-[4-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-iodophenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-6-iodophenoxy]acetic acid Traditional Name: 2-[4-[(Z)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-6-iodo-phenoxy]acetic acid Formula: C21H18IN3O4 MolecularWeight: 503.28979

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I)OCC(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C2=NC3=C(N2)C=C(C=C3)C)I)OCC(=O)O

InChI

InChI=1S/C21H18IN3O4/c1-3-28-18-9-13(8-15(22)20(18)29-11-19(26)27)7-14(10-23)21-24-16-5-4-12(2)6-17(16)25-21/h4-9H,3,11H2,1-2H3,(H,24,25)(H,26,27)/b14-7-