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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20F3NO4
Molecular Weight 347.3295
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (βR)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoate

SMILES

COC(=O)C[C@@H](CC1=C(F)C=C(F)C(F)=C1)NC(=O)OC(C)(C)C

InChI

InChIKey=INQCBWDBMIXHDN-SNVBAGLBSA-N
InChI=1S/C16H20F3NO4/c1-16(2,3)24-15(22)20-10(7-14(21)23-4)5-9-6-12(18)13(19)8-11(9)17/h6,8,10H,5,7H2,1-4H3,(H,20,22)/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H20F3NO4
Molecular Weight 347.3295
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:34:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:34:13 GMT 2023
Record UNII
5NB9H9ZL4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (βR)-β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluorobenzenebutanoate
Systematic Name English
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2,4,5-trifluoro-, methyl ester, (βR)-
Systematic Name English
Code System Code Type Description
CAS
881995-73-9
Created by admin on Sat Dec 16 19:34:13 GMT 2023 , Edited by admin on Sat Dec 16 19:34:13 GMT 2023
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FDA UNII
5NB9H9ZL4Q
Created by admin on Sat Dec 16 19:34:13 GMT 2023 , Edited by admin on Sat Dec 16 19:34:13 GMT 2023
PRIMARY
PUBCHEM
11359981
Created by admin on Sat Dec 16 19:34:13 GMT 2023 , Edited by admin on Sat Dec 16 19:34:13 GMT 2023
PRIMARY