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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23NO5
Molecular Weight 357.4003
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (?R,?S)-?-(acetylamino)-?-hydroxy-4-(phenylmethoxy)benzenepropanoate

SMILES

CCOC(=O)[C@H](O)[C@@H](NC(C)=O)C1=CC=C(OCC2=CC=CC=C2)C=C1

InChI

InChIKey=HRXCVPWHTCVYKB-RBUKOAKNSA-N
InChI=1S/C20H23NO5/c1-3-25-20(24)19(23)18(21-14(2)22)16-9-11-17(12-10-16)26-13-15-7-5-4-6-8-15/h4-12,18-19,23H,3,13H2,1-2H3,(H,21,22)/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H23NO5
Molecular Weight 357.4003
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:18:31 GMT 2025
Edited
by admin
on Wed Apr 02 17:18:31 GMT 2025
Record UNII
MJ66RJ8Q3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (?R,?S)-?-(acetylamino)-?-hydroxy-4-(phenylmethoxy)benzenepropanoate
Systematic Name English
(?R,?S)-?-(Acetylamino)-?-hydroxy-4-(phenylmethoxy)-benzenepropanoic Acid Ethyl Ester
Preferred Name English
Benzenepropanoic acid, ?-(acetylamino)-?-hydroxy-4-(phenylmethoxy)-, ethyl ester, (?R,?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11046536
Created by admin on Wed Apr 02 17:18:31 GMT 2025 , Edited by admin on Wed Apr 02 17:18:31 GMT 2025
PRIMARY
FDA UNII
MJ66RJ8Q3S
Created by admin on Wed Apr 02 17:18:31 GMT 2025 , Edited by admin on Wed Apr 02 17:18:31 GMT 2025
PRIMARY
CAS
382596-25-0
Created by admin on Wed Apr 02 17:18:31 GMT 2025 , Edited by admin on Wed Apr 02 17:18:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID10453220
Created by admin on Wed Apr 02 17:18:31 GMT 2025 , Edited by admin on Wed Apr 02 17:18:31 GMT 2025
PRIMARY