2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-6-ethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-6-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-6-ethoxy-phenoxy]acetic acid CAS Name: 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-6-ethoxyphenoxy]acetic acid IUPAC Name: 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-6-ethoxyphenoxy]acetic acid Traditional Name: 2-[2-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-6-ethoxy-phenoxy]acetic acid Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC(=O)O)C=C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=CC=CC(=C1OCC(=O)O)/C=C(\C#N)/C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H17N3O4/c1-2-26-17-9-5-6-13(19(17)27-12-18(24)25)10-14(11-21)20-22-15-7-3-4-8-16(15)23-20/h3-10H,2,12H2,1H3,(H,22,23)(H,24,25)/b14-10+