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

Systemtic Name: ethyl 2-[2-bromanyl-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-ethoxy-phenoxy]ethanoate Openeye Name: ethyl 2-[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]acetate CAS Name: 2-[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-ethoxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-6-ethoxyphenoxy]acetate Traditional Name: 2-[2-bromo-4-[2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]-6-ethoxy-phenoxy]acetic acid ethyl ester Formula: C23H22BrN3O4 MolecularWeight: 484.34248

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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)Br)OCC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O4/c1-4-29-20-11-15(10-17(24)22(20)31-13-21(28)30-5-2)9-16(12-25)23-26-18-7-6-14(3)8-19(18)27-23/h6-11H,4-5,13H2,1-3H3,(H,26,27)