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Details

Stereochemistry RACEMIC
Molecular Formula C18H19NO4
Molecular Weight 313.3478
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (?R,?S)-?-(benzoylamino)-?-hydroxybenzenepropanoate, rel-

SMILES

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

InChI

InChIKey=OQAQLARGRIIKCB-JKSUJKDBSA-N
InChI=1S/C18H19NO4/c1-2-23-18(22)16(20)15(13-9-5-3-6-10-13)19-17(21)14-11-7-4-8-12-14/h3-12,15-16,20H,2H2,1H3,(H,19,21)/t15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19NO4
Molecular Weight 313.3478
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 19:43:30 GMT 2025
Edited
by admin
on Wed Apr 02 19:43:30 GMT 2025
Record UNII
A6V7TE3WZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl (?R,?S)-?-(benzoylamino)-?-hydroxybenzenepropanoate, rel-
Systematic Name English
Benzenepropanoic acid, ?-(benzoylamino)-?-hydroxy-, ethyl ester, (R*,S*)-
Preferred Name English
rel-Ethyl (?R,?S)-?-(benzoylamino)-?-hydroxybenzenepropanoate
Systematic Name English
Benzenepropanoic acid, ?-(benzoylamino)-?-hydroxy-, ethyl ester, (?R,?S)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
A6V7TE3WZN
Created by admin on Wed Apr 02 19:43:30 GMT 2025 , Edited by admin on Wed Apr 02 19:43:30 GMT 2025
PRIMARY
CAS
188003-76-1
Created by admin on Wed Apr 02 19:43:30 GMT 2025 , Edited by admin on Wed Apr 02 19:43:30 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE