1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 1-naphthalenyl ester (CHEBI:183978)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 1-naphthalenyl ester

ChEBI ID	CHEBI:183978

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H18FNO2

Net Charge

Average Mass

395.433

Monoisotopic Mass

395.13216

InChI

InChI=1S/C26H18FNO2/c27-20-14-12-18(13-15-20)16-28-17-23(22-9-3-4-10-24(22)28)26(29)30-25-11-5-7-19-6-1-2-8-21(19)25/h1-15,17H,16H2

InChIKey

RCEKSVIFQKKFLS-UHFFFAOYSA-N

SMILES

FC1=CC=C(CN2C=3C(C(=C2)C(OC=4C=5C(C=CC4)=CC=CC5)=O)=CC=CC3)C=C1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835)	Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	1h-indole-3-carboxylic acid, 1-[(4-fluorophenyl)methyl]-, 1-naphthalenyl ester (CHEBI:183978) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name

naphthalen-1-yl 1-[(4-luorophenyl)methyl]indole-3-carboxylate