methyl (11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl (11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl (11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11Z)-11-[3-(1-pyrrolidinyl)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl (11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11Z)-11-(3-pyrrolidinopropylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCCN4CCCC4

Isomeric SMILES

COC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C/CCN4CCCC4

InChI

InChI=1S/C23H25NO3/c1-26-23(25)17-10-11-22-21(15-17)20(9-6-14-24-12-4-5-13-24)19-8-3-2-7-18(19)16-27-22/h2-3,7-11,15H,4-6,12-14,16H2,1H3/b20-9-