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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC=C3C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1C/C=C/3\C4=CC=CC=C4COC5=C3C=C(C=C5)C(=O)O

InChI

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