methyl (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(3-benzo[f]benzimidazolyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-(2-benzo[f]benzimidazol-3-ylethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C29H22N2O3 MolecularWeight: 446.49658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4C=NC5=CC6=CC=CC=C6C=C54

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4C=NC5=CC6=CC=CC=C6C=C54

InChI

InChI=1S/C29H22N2O3/c1-33-29(32)21-10-11-28-25(14-21)24(23-9-5-4-8-22(23)17-34-28)12-13-31-18-30-26-15-19-6-2-3-7-20(19)16-27(26)31/h2-12,14-16,18H,13,17H2,1H3/b24-12+