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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H15FO3
Molecular Weight 286.2976
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

OC(=O)[C@H](CC(=O)C1=CC=C(F)C=C1)CC2=CC=CC=C2

InChI

InChIKey=DZRBTTWGDHUKDS-AWEZNQCLSA-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)/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CRE-16257, (S)-
Code English
EML-16257, (S)-
Code English
BENZENEBUTANOIC ACID, 4-FLUORO-.GAMMA.-OXO-.ALPHA.-(PHENYLMETHYL)-, (.ALPHA.S)-
Systematic Name English
(2S)-2-BENZYL-4-(4-FLUOROPHENYL)-4-OXO-BUTANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
XBQ44I1GX2
Created by admin on Fri Dec 15 15:56:55 GMT 2023 , Edited by admin on Fri Dec 15 15:56:55 GMT 2023
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CAS
203855-57-6
Created by admin on Fri Dec 15 15:56:55 GMT 2023 , Edited by admin on Fri Dec 15 15:56:55 GMT 2023
PRIMARY
PUBCHEM
133082904
Created by admin on Fri Dec 15 15:56:55 GMT 2023 , Edited by admin on Fri Dec 15 15:56:55 GMT 2023
PRIMARY