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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20ClNO3
Molecular Weight 309.788
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenylmethyl (3R,4S)-3-(2-chloroacetyl)-4-ethyl-1-pyrrolidinecarboxylate

SMILES

CC[C@@H]1CN(C[C@@H]1C(=O)CCl)C(=O)OCC2=CC=CC=C2

InChI

InChIKey=XSJULIWMQLDPRJ-KGLIPLIRSA-N
InChI=1S/C16H20ClNO3/c1-2-13-9-18(10-14(13)15(19)8-17)16(20)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Pyrrolidinecarboxylic acid, 3-(2-chloroacetyl)-4-ethyl-, phenylmethyl ester, (3R,4S)-
Preferred Name English
Phenylmethyl (3R,4S)-3-(2-chloroacetyl)-4-ethyl-1-pyrrolidinecarboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
ND39M77MLJ
Created by admin on Wed Apr 02 19:30:13 GMT 2025 , Edited by admin on Wed Apr 02 19:30:13 GMT 2025
PRIMARY
CAS
2460133-49-5
Created by admin on Wed Apr 02 19:30:13 GMT 2025 , Edited by admin on Wed Apr 02 19:30:13 GMT 2025
PRIMARY
PUBCHEM
170263272
Created by admin on Wed Apr 02 19:30:13 GMT 2025 , Edited by admin on Wed Apr 02 19:30:13 GMT 2025
PRIMARY
NIH
NCATS
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