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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17NO3
Molecular Weight 235.279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methyl-4-butyrylaminobenzoic acid methyl ester

SMILES

CCCC(=O)NC1=CC=C(C=C1C)C(=O)OC

InChI

InChIKey=RZMQQYDXKPDLJH-UHFFFAOYSA-N
InChI=1S/C13H17NO3/c1-4-5-12(15)14-11-7-6-10(8-9(11)2)13(16)17-3/h6-8H,4-5H2,1-3H3,(H,14,15)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Butyrylamino-3-methylbenzoic acid methyl ester
Preferred Name English
3-Methyl-4-butyrylaminobenzoic acid methyl ester
Systematic Name English
Benzoic acid, 3-methyl-4-[(1-oxobutyl)amino]-, methyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80431858
Created by admin on Wed Apr 02 21:26:01 GMT 2025 , Edited by admin on Wed Apr 02 21:26:01 GMT 2025
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PUBCHEM
9856104
Created by admin on Wed Apr 02 21:26:01 GMT 2025 , Edited by admin on Wed Apr 02 21:26:01 GMT 2025
PRIMARY
CAS
301533-59-5
Created by admin on Wed Apr 02 21:26:01 GMT 2025 , Edited by admin on Wed Apr 02 21:26:01 GMT 2025
PRIMARY
FDA UNII
97QJL33JSR
Created by admin on Wed Apr 02 21:26:01 GMT 2025 , Edited by admin on Wed Apr 02 21:26:01 GMT 2025
PRIMARY