(2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]propanoate

Systemtic Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]propanoate Openeye Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]propanoate CAS Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]propanoate IUPAC Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]propanoate Traditional Name: (2R)-2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]propionate Formula: C21H18N3O4- MolecularWeight: 376.38532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC(C)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)O[C@H](C)C(=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-3-27-19-11-14(8-9-18(19)28-13(2)21(25)26)10-15(12-22)20-23-16-6-4-5-7-17(16)24-20/h4-11,13H,3H2,1-2H3,(H,23,24)(H,25,26)/p-1/b15-10+/t13-/m1/s1