5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate Openeye Name: 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylate CAS Name: 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]-2-furoate Formula: C23H16N3O5- MolecularWeight: 414.39024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=CC=C(O4)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=CC=C(O4)C(=O)[O-]

InChI

InChI=1S/C23H17N3O5/c1-29-21-11-14(6-8-19(21)30-13-16-7-9-20(31-16)23(27)28)10-15(12-24)22-25-17-4-2-3-5-18(17)26-22/h2-11H,13H2,1H3,(H,25,26)(H,27,28)/p-1/b15-10+