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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]-β-alanine

SMILES

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

Approval Year

Name Type Language
N-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-methylphenyl]methyl]-β-alanine
Systematic Name English
3-[({4-[(1E)-1-({[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}imino)ethyl]-2-methylphenyl}methyl)amino]propanoic acid
Systematic Name English
β-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 Sat Dec 16 20:01:38 GMT 2023 , Edited by admin on Sat Dec 16 20:01:38 GMT 2023
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CAS
1418145-21-7
Created by admin on Sat Dec 16 20:01:38 GMT 2023 , Edited by admin on Sat Dec 16 20:01:38 GMT 2023
PRIMARY
FDA UNII
4HM9QLK75N
Created by admin on Sat Dec 16 20:01:38 GMT 2023 , Edited by admin on Sat Dec 16 20:01:38 GMT 2023
PRIMARY