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

Systemtic Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]acetic acid Formula: C19H15N3O4 MolecularWeight: 349.3401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC(=O)O

InChI

InChI=1S/C19H15N3O4/c1-25-17-9-12(6-7-16(17)26-11-18(23)24)8-13(10-20)19-21-14-4-2-3-5-15(14)22-19/h2-9H,11H2,1H3,(H,21,22)(H,23,24)/b13-8+