methyl (11E)-11-(3-morpholin-4-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11E)-11-(3-morpholin-4-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-(3-morpholinopropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[3-(4-morpholinyl)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-(3-morpholin-4-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-(3-morpholinopropylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCCN4CCOCC4

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CCN4CCOCC4

InChI

InChI=1S/C23H25NO4/c1-26-23(25)17-8-9-22-21(15-17)20(7-4-10-24-11-13-27-14-12-24)19-6-3-2-5-18(19)16-28-22/h2-3,5-9,15H,4,10-14,16H2,1H3/b20-7+