methyl (11E)-11-[2-(4-oxidanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-11-[2-(4-oxidanylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-[2-(4-hydroxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(4-hydroxy-1-benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-[2-(4-hydroxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(4-hydroxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4C=NC5=C4C=CC=C5O

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4C=NC5=C4C=CC=C5O

InChI

InChI=1S/C25H20N2O4/c1-30-25(29)16-9-10-23-20(13-16)19(18-6-3-2-5-17(18)14-31-23)11-12-27-15-26-24-21(27)7-4-8-22(24)28/h2-11,13,15,28H,12,14H2,1H3/b19-11+