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

Systemtic Name: methyl 2-[5-bromanyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxy-phenoxy]ethanoate Openeye Name: methyl 2-[5-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-phenoxy]acetate CAS Name: 2-[5-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[5-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-2-ethoxyphenoxy]acetate Traditional Name: 2-[5-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-2-ethoxy-phenoxy]acetic acid methyl ester Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrN3O4/c1-4-29-19-9-14(16(23)10-20(19)30-12-21(27)28-3)8-15(11-24)22-25-17-6-5-13(2)7-18(17)26-22/h5-10H,4,12H2,1-3H3,(H,25,26)