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

Systemtic Name: methyl (11E)-11-(2-pyridin-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-[2-(3-pyridyl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(3-pyridinyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-(2-pyridin-3-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[2-(3-pyridyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C23H19NO3 MolecularWeight: 357.40186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CC4=CN=CC=C4

InChI

InChI=1S/C23H19NO3/c1-26-23(25)17-9-11-22-21(13-17)20(10-8-16-5-4-12-24-14-16)19-7-3-2-6-18(19)15-27-22/h2-7,9-14H,8,15H2,1H3/b20-10+