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Details

Stereochemistry ACHIRAL
Molecular Formula C27H33F3N2O3
Molecular Weight 490.5577
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-methylphenyl]methyl]-?-alanine

SMILES

C\C(=N/OCC1=CC=C(C2CCCCC2)C(=C1)C(F)(F)F)C3=CC=C(CNCCC(O)=O)C(C)=C3

InChI

InChIKey=ONJGGOAOIKKBKX-BIZUNTBRSA-N
InChI=1S/C27H33F3N2O3/c1-18-14-22(9-10-23(18)16-31-13-12-26(33)34)19(2)32-35-17-20-8-11-24(21-6-4-3-5-7-21)25(15-20)27(28,29)30/h8-11,14-15,21,31H,3-7,12-13,16-17H2,1-2H3,(H,33,34)/b32-19+

HIDE SMILES / InChI

Molecular Formula C27H33F3N2O3
Molecular Weight 490.5577
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:03:47 GMT 2025
Edited
by admin
on Wed Apr 02 18:03:47 GMT 2025
Record UNII
4HM9QLK75N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[({4-[(1E)-1-({[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}imino)ethyl]-2-methylphenyl}methyl)amino]propanoic acid
Preferred Name English
N-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-methylphenyl]methyl]-?-alanine
Systematic Name English
?-Alanine, N-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-methylphenyl]methyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
57570497
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
PRIMARY
CAS
1418145-21-7
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
PRIMARY
FDA UNII
4HM9QLK75N
Created by admin on Wed Apr 02 18:03:47 GMT 2025 , Edited by admin on Wed Apr 02 18:03:47 GMT 2025
PRIMARY