(E)-2-Hydroxy-N-desmethyldoxepin (CHEBI:174002)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(E)-2-Hydroxy-N-desmethyldoxepin

ChEBI ID	CHEBI:174002

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C18H19NO2

Net Charge

Average Mass

281.355

Monoisotopic Mass

281.14158

InChI

InChI=1S/C18H19NO2/c1-19-10-4-7-16-15-6-3-2-5-13(15)12-21-18-9-8-14(20)11-17(16)18/h2-3,5-9,11,19-20H,4,10,12H2,1H3/b16-7+

InChIKey

LUWRONBNZDYVBL-FRKPEAEDSA-N

SMILES

O1CC=2C(/C(/C3=C1C=CC(O)=C3)=C\CCNC)=CC=CC2

ChEBI Ontology
Outgoing	(E)-2-Hydroxy-N-desmethyldoxepin (CHEBI:174002) is a dibenzooxazepine (CHEBI:53802)

IUPAC Name

(11E)-11-[3-(methylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol