U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO2
Molecular Weight 217.2637
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl indole-3-butyrate

SMILES

COC(=O)CCCC1=CNC2=C1C=CC=C2

InChI

InChIKey=ZEJUFCOACOWDPP-UHFFFAOYSA-N
InChI=1S/C13H15NO2/c1-16-13(15)8-4-5-10-9-14-12-7-3-2-6-11(10)12/h2-3,6-7,9,14H,4-5,8H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl indole-3-butyrate
Systematic Name English
Methyl 4-(indol-3-yl)butyrate
Preferred Name English
1H-Indole-3-butanoic acid, methyl ester
Systematic Name English
NSC-520394
Code English
3-Indolebutanoic acid methyl ester
Systematic Name English
Indole-3-butyric acid, methyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90165990
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
ECHA (EC/EINECS)
239-658-0
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
FDA UNII
768B8C88XT
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
NSC
520394
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
PUBCHEM
85010
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY
CAS
15591-70-5
Created by admin on Tue Apr 01 19:05:24 GMT 2025 , Edited by admin on Tue Apr 01 19:05:24 GMT 2025
PRIMARY