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

Systemtic Name: 3-[(2E)-2-(2-methoxycarbonyl-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid Openeye Name: 3-[(2E)-2-(2-methoxycarbonyl-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid CAS Name: 3-[(2E)-2-(2-methoxycarbonyl-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2E)-2-(2-methoxycarbonyl-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid Traditional Name: 3-[(2E)-2-(2-carbomethoxy-6H-benzo[c][1]benzoxepin-11-ylidene)ethyl]benzimidazole-5-carboxylic acid Formula: C26H20N2O5 MolecularWeight: 440.4474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4C=NC5=C4C=C(C=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4C=NC5=C4C=C(C=C5)C(=O)O

InChI

InChI=1S/C26H20N2O5/c1-32-26(31)17-7-9-24-21(12-17)20(19-5-3-2-4-18(19)14-33-24)10-11-28-15-27-22-8-6-16(25(29)30)13-23(22)28/h2-10,12-13,15H,11,14H2,1H3,(H,29,30)/b20-10+