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

Systemtic Name: (11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: (11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid CAS Name: (11Z)-11-[3-(1-pyrrolidinyl)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: (11Z)-11-(3-pyrrolidin-1-ylpropylidene)-6H-benzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: (11Z)-11-(3-pyrrolidinopropylidene)-6H-benzo[c][1]benzoxepin-2-carboxylic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC=C2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(C1)CC/C=C\2/C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)O

InChI

InChI=1S/C22H23NO3/c24-22(25)16-9-10-21-20(14-16)19(8-5-13-23-11-3-4-12-23)18-7-2-1-6-17(18)15-26-21/h1-2,6-10,14H,3-5,11-13,15H2,(H,24,25)/b19-8-