Ethyl 2,2-di(1H-indol-3-yl)propanoate (CHEBI:188761)

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CHEBI:188761 - Ethyl 2,2-di(1H-indol-3-yl)propanoate

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ChEBI ID	CHEBI:188761
ChEBI Name	Ethyl 2,2-di(1H-indol-3-yl)propanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H20N2O2
Net Charge	0
Average Mass	332.403
Monoisotopic Mass	332.15248
SMILES	CCOC(=O)C(C)(c1cnc2ccccc12)c1cnc2ccccc12
InChI	InChI=1S/C21H20N2O2/c1-3-25-20(24)21(2,16-12-22-18-10-6-4-8-14(16)18)17-13-23-19-11-7-5-9-15(17)19/h4-13,22-23H,3H2,1-2H3
InChIKey	JJYXPVIOPCTYAP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Ethyl 2,2-di(1H-indol-3-yl)propanoate (CHEBI:188761) is a indole-3-acetic acids (CHEBI:24803)

IUPAC Name
ethyl 2,2-bis(1H-indol-3-yl)propanoate

Manual Xrefs	Databases
234771	ChemSpider

Registry Numbers	Sources
CAS:70837-47-7	ChemIDplus