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CHEBI:94593 - 2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid

ChEBI IDCHEBI:94593
ChEBI Name2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC21H23NO3
Net Charge0
Average Mass337.419
Monoisotopic Mass337.16779
SMILESCN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)O)cc21
InChIInChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)
InChIKeyJBIMVDZLSHOPLA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid (CHEBI:94593) is a heterotricyclic compound (CHEBI:36688)
Manual XrefsDatabases
LSM-5498LINCS