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Details

Stereochemistry RACEMIC
Molecular Formula C17H15FO3
Molecular Weight 286.2976
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRE-16257, (±)-

SMILES

OC(=O)C(CC(=O)C1=CC=C(F)C=C1)CC2=CC=CC=C2

InChI

InChIKey=DZRBTTWGDHUKDS-UHFFFAOYSA-N
InChI=1S/C17H15FO3/c18-15-8-6-13(7-9-15)16(19)11-14(17(20)21)10-12-4-2-1-3-5-12/h1-9,14H,10-11H2,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C17H15FO3
Molecular Weight 286.2976
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:29:16 GMT 2023
Edited
by admin
on Fri Dec 15 16:29:16 GMT 2023
Record UNII
1D4A9Z02KM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRE-16257, (±)-
Code English
BENZENEBUTANOIC ACID, 4-FLUORO-.GAMMA.-OXO-.ALPHA.-(PHENYLMETHYL)-
Systematic Name English
4-FLUORO-.GAMMA.-OXO-.ALPHA.-(PHENYLMETHYL)BENZENEBUTANOIC ACID
Systematic Name English
EML-257, (±)-
Code English
Code System Code Type Description
FDA UNII
1D4A9Z02KM
Created by admin on Fri Dec 15 16:29:16 GMT 2023 , Edited by admin on Fri Dec 15 16:29:16 GMT 2023
PRIMARY
PUBCHEM
9828950
Created by admin on Fri Dec 15 16:29:16 GMT 2023 , Edited by admin on Fri Dec 15 16:29:16 GMT 2023
PRIMARY
CAS
203855-56-5
Created by admin on Fri Dec 15 16:29:16 GMT 2023 , Edited by admin on Fri Dec 15 16:29:16 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE