(11E)-11-[2-(5-methylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: (11E)-11-[2-(5-methylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: (11E)-11-[2-(5-methylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: (11E)-11-[2-(5-methyl-1-benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: (11E)-11-[2-(5-methylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: (11E)-11-[2-(5-methylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C25H20N2O3 MolecularWeight: 396.4379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=N2)CC=C3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=N2)C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O

InChI

InChI=1S/C25H20N2O3/c1-16-6-8-23-22(12-16)26-15-27(23)11-10-20-19-5-3-2-4-18(19)14-30-24-9-7-17(25(28)29)13-21(20)24/h2-10,12-13,15H,11,14H2,1H3,(H,28,29)/b20-10+