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

Systemtic Name: 2-[2-bromanyl-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-6-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-6-ethoxyphenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-6-ethoxyphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]acetic acid Formula: C21H18BrN3O5 MolecularWeight: 472.28872

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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)OC)Br)OCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O5/c1-3-29-18-8-12(7-15(22)20(18)30-11-19(26)27)6-13(10-23)21-24-16-5-4-14(28-2)9-17(16)25-21/h4-9H,3,11H2,1-2H3,(H,24,25)(H,26,27)/b13-6+