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

Systemtic Name: methyl 2-[5-bromanyl-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-2-methoxy-phenoxy]ethanoate Openeye Name: methyl 2-[5-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[5-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[5-bromo-4-[(E)-2-cyano-2-(6-methoxy-1H-benzimidazol-2-yl)vinyl]-2-methoxy-phenoxy]acetic acid methyl ester Formula: C21H18BrN3O5 MolecularWeight: 472.28872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3Br)OCC(=O)OC)OC)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3Br)OCC(=O)OC)OC)/C#N

InChI

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