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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H18F3NO2
Molecular Weight 349.3469
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Methyl (2Z)-3-[[(1R)-1-phenylethyl]amino]-4-(2,4,5-trifluorophenyl)-2-butenoate

SMILES

COC(=O)\C=C(\CC1=CC(F)=C(F)C=C1F)N[C@H](C)C2=CC=CC=C2

InChI

InChIKey=ZFOPHUGJVYPOLP-DYTQJMLRSA-N
InChI=1S/C19H18F3NO2/c1-12(13-6-4-3-5-7-13)23-15(10-19(24)25-2)8-14-9-17(21)18(22)11-16(14)20/h3-7,9-12,23H,8H2,1-2H3/b15-10-/t12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H18F3NO2
Molecular Weight 349.3469
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:56:43 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:43 GMT 2025
Record UNII
EA6W3Y2CLQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Butenoic acid, 3-[[(1R)-1-phenylethyl]amino]-4-(2,4,5-trifluorophenyl)-, methyl ester, (2Z)-
Preferred Name English
Methyl (2Z)-3-[[(1R)-1-phenylethyl]amino]-4-(2,4,5-trifluorophenyl)-2-butenoate
Common Name English
Code System Code Type Description
CAS
1446136-95-3
Created by admin on Wed Apr 02 20:56:43 GMT 2025 , Edited by admin on Wed Apr 02 20:56:43 GMT 2025
PRIMARY
PUBCHEM
162106483
Created by admin on Wed Apr 02 20:56:43 GMT 2025 , Edited by admin on Wed Apr 02 20:56:43 GMT 2025
PRIMARY
FDA UNII
EA6W3Y2CLQ
Created by admin on Wed Apr 02 20:56:43 GMT 2025 , Edited by admin on Wed Apr 02 20:56:43 GMT 2025
PRIMARY