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Details

Stereochemistry RACEMIC
Molecular Formula C16H20BrNO3
Molecular Weight 354.239
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzyl (3R,4R)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate, rel-

SMILES

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

InChI

InChIKey=QEFUCTKHMXMWRF-KBPBESRZSA-N
InChI=1S/C16H20BrNO3/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-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-4-ethyl-, phenylmethyl ester, (3R,4R)-rel-
Preferred Name English
Benzyl (3R,4R)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate, rel-
Systematic Name English
rel-Phenylmethyl (3R,4R)-3-(2-bromoacetyl)-4-ethyl-1-pyrrolidinecarboxylate
Systematic Name English
rel-Benzyl (3R,4R)-3-(2-bromoacetyl)-4-ethylpyrrolidine-1-carboxylate
Systematic Name English
Code System Code Type Description
FDA UNII
HK8WM6FHF8
Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025
PRIMARY
CAS
2304514-60-9
Created by admin on Wed Apr 02 19:46:27 GMT 2025 , Edited by admin on Wed Apr 02 19:46:27 GMT 2025
PRIMARY
NIH
NCATS
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