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

Systemtic Name: (11E)-11-[2-(6-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: (11E)-11-[2-(6-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(6-methoxy-1-benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate IUPAC Name: (11E)-11-[2-(6-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(6-methoxybenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylate Formula: C25H19N2O4- MolecularWeight: 411.42936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=CN2CC=C3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=CN2C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C25H20N2O4/c1-30-18-7-8-22-23(13-18)27(15-26-22)11-10-20-19-5-3-2-4-17(19)14-31-24-9-6-16(25(28)29)12-21(20)24/h2-10,12-13,15H,11,14H2,1H3,(H,28,29)/p-1/b20-10+