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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19NO3
Molecular Weight 309.3591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZYL ((2-BENZYLPROP-2-ENOYL)AMINO)ACETATE

SMILES

C=C(CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChIKey=YKINYFHTXSOMQZ-UHFFFAOYSA-N
InChI=1S/C19H19NO3/c1-15(12-16-8-4-2-5-9-16)19(22)20-13-18(21)23-14-17-10-6-3-7-11-17/h2-11H,1,12-14H2,(H,20,22)

HIDE SMILES / InChI

Molecular Formula C19H19NO3
Molecular Weight 309.3591
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:02:04 GMT 2023
Edited
by admin
on Sat Dec 16 15:02:04 GMT 2023
Record UNII
J7W7N3RH3U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZYL ((2-BENZYLPROP-2-ENOYL)AMINO)ACETATE
Systematic Name English
N-(1-OXO-2-(PHENYLMETHYL)-2-PROPEN-1-YL)GLYCINE PHENYLMETHYL ESTER
Systematic Name English
RACECADOTRIL IMPURITY F [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
J7W7N3RH3U
Created by admin on Sat Dec 16 15:02:05 GMT 2023 , Edited by admin on Sat Dec 16 15:02:05 GMT 2023
PRIMARY
PUBCHEM
13242778
Created by admin on Sat Dec 16 15:02:05 GMT 2023 , Edited by admin on Sat Dec 16 15:02:05 GMT 2023
PRIMARY
CAS
87428-99-7
Created by admin on Sat Dec 16 15:02:05 GMT 2023 , Edited by admin on Sat Dec 16 15:02:05 GMT 2023
PRIMARY
EPA CompTox
DTXSID00531405
Created by admin on Sat Dec 16 15:02:05 GMT 2023 , Edited by admin on Sat Dec 16 15:02:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
correction factors: for the calculation of content, multiply the peak areas of the following impurities by the corresponding correction factor: impurity F = 0.7
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP