3-[(2E)-2-(2-carboxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(2E)-2-(2-carboxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid Openeye Name: 3-[(2E)-2-(2-carboxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid CAS Name: 3-[(2E)-2-(2-carboxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2E)-2-(2-carboxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid Traditional Name: 3-[(2E)-2-(2-carboxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=CCN3C=NC4=C3C=C(C=C4)C(=O)O)C5=C(O1)C=CC(=C5)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2/C(=C\CN3C=NC4=C3C=C(C=C4)C(=O)O)/C5=C(O1)C=CC(=C5)C(=O)O

InChI

InChI=1S/C25H18N2O5/c28-24(29)15-6-8-23-20(11-15)19(18-4-2-1-3-17(18)13-32-23)9-10-27-14-26-21-7-5-16(25(30)31)12-22(21)27/h1-9,11-12,14H,10,13H2,(H,28,29)(H,30,31)/b19-9+