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Details

Stereochemistry ACHIRAL
Molecular Formula C15H13NO4
Molecular Weight 271.268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(((1,3-BENZODIOXOL-5-YL)METHYL)AMINO)BENZOIC ACID

SMILES

OC(=O)C1=CC=C(NCC2=CC3=C(OCO3)C=C2)C=C1

InChI

InChIKey=DXMXVBCFPHMKGZ-UHFFFAOYSA-N
InChI=1S/C15H13NO4/c17-15(18)11-2-4-12(5-3-11)16-8-10-1-6-13-14(7-10)20-9-19-13/h1-7,16H,8-9H2,(H,17,18)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-((1,3-BENZODIOXOL-5-YLMETHYL)AMINO)BENZOIC ACID
Preferred Name English
4-(((1,3-BENZODIOXOL-5-YL)METHYL)AMINO)BENZOIC ACID
Systematic Name English
BENZOIC ACID, 4-((1,3-BENZODIOXOL-5-YLMETHYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
RJ4J4UMV5H
Created by admin on Mon Mar 31 17:57:41 GMT 2025 , Edited by admin on Mon Mar 31 17:57:41 GMT 2025
PRIMARY
PUBCHEM
763016
Created by admin on Mon Mar 31 17:57:41 GMT 2025 , Edited by admin on Mon Mar 31 17:57:41 GMT 2025
PRIMARY
CAS
69671-78-9
Created by admin on Mon Mar 31 17:57:41 GMT 2025 , Edited by admin on Mon Mar 31 17:57:41 GMT 2025
PRIMARY
NIH
NCATS
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