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

Systemtic Name: methyl (11E)-11-(2-pyrrolidin-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11E)-11-(2-pyrrolidin-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[2-(1-pyrrolidinyl)ethylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11E)-11-(2-pyrrolidin-1-ylethylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-(2-pyrrolidinoethylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCN4CCCC4

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CN4CCCC4

InChI

InChI=1S/C22H23NO3/c1-25-22(24)16-8-9-21-20(14-16)19(10-13-23-11-4-5-12-23)18-7-3-2-6-17(18)15-26-21/h2-3,6-10,14H,4-5,11-13,15H2,1H3/b19-10+