2-[[(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[(11E)-11-[2-(5,6-dimethyl-1-benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[(11E)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carbonyl]amino]benzoic acid Formula: C33H27N3O4 MolecularWeight: 529.58518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CC=C3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)NC6=CC=CC=C6C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)NC6=CC=CC=C6C(=O)O

InChI

InChI=1S/C33H27N3O4/c1-20-15-29-30(16-21(20)2)36(19-34-29)14-13-25-24-8-4-3-7-23(24)18-40-31-12-11-22(17-27(25)31)32(37)35-28-10-6-5-9-26(28)33(38)39/h3-13,15-17,19H,14,18H2,1-2H3,(H,35,37)(H,38,39)/b25-13+