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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15NO4
Molecular Weight 249.2625
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOXYETHYL PCA

SMILES

O=C(OCCOC1=CC=CC=C1)[C@@H]2CCC(=O)N2

InChI

InChIKey=IBJOBFSVAQOVRA-NSHDSACASA-N
InChI=1S/C13H15NO4/c15-12-7-6-11(14-12)13(16)18-9-8-17-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H15NO4
Molecular Weight 249.2625
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:57:27 GMT 2025
Edited
by admin
on Wed Apr 02 17:57:27 GMT 2025
Record UNII
P9KE3500DH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VAMACTIVE 45
Preferred Name English
PHENOXYETHYL PCA
INCI  
INCI  
Official Name English
L-PROLINE, 5-OXO-, 2-PHENOXYETHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
P9KE3500DH
Created by admin on Wed Apr 02 17:57:27 GMT 2025 , Edited by admin on Wed Apr 02 17:57:27 GMT 2025
PRIMARY
CAS
835913-42-3
Created by admin on Wed Apr 02 17:57:27 GMT 2025 , Edited by admin on Wed Apr 02 17:57:27 GMT 2025
PRIMARY
PUBCHEM
72941918
Created by admin on Wed Apr 02 17:57:27 GMT 2025 , Edited by admin on Wed Apr 02 17:57:27 GMT 2025
PRIMARY