ethyl (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: ethyl (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Openeye Name: ethyl (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate CAS Name: (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid ethyl ester IUPAC Name: ethyl (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepine-2-carboxylate Traditional Name: (11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-carboxylic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCCN(C)C

Isomeric SMILES

CCOC(=O)C1=CC\2=C(C=C1)OCC3=CC=CC=C3/C2=C\CCN(C)C

InChI

InChI=1S/C22H25NO3/c1-4-25-22(24)16-11-12-21-20(14-16)19(10-7-13-23(2)3)18-9-6-5-8-17(18)15-26-21/h5-6,8-12,14H,4,7,13,15H2,1-3H3/b19-10+