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Details

Stereochemistry ACHIRAL
Molecular Formula C21H28F3N3O7
Molecular Weight 491.4581
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate

SMILES

COC(=O)C1=C(OCCOCCOCCNC(=O)OC(C)(C)C)C=C(C=C1)C2(N=N2)C(F)(F)F

InChI

InChIKey=LUZHOFLOLFEWPZ-UHFFFAOYSA-N
InChI=1S/C21H28F3N3O7/c1-19(2,3)34-18(29)25-7-8-31-9-10-32-11-12-33-16-13-14(5-6-15(16)17(28)30-4)20(26-27-20)21(22,23)24/h5-6,13H,7-12H2,1-4H3,(H,25,29)

HIDE SMILES / InChI

Approval Year

Name Type Language
2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic acid methyl ester
Preferred Name English
Methyl 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoate
Systematic Name English
Benzoic acid, 2-[(12,12-dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, methyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60676260
Created by admin on Wed Apr 02 05:58:50 GMT 2025 , Edited by admin on Wed Apr 02 05:58:50 GMT 2025
PRIMARY
PUBCHEM
29974475
Created by admin on Wed Apr 02 05:58:50 GMT 2025 , Edited by admin on Wed Apr 02 05:58:50 GMT 2025
PRIMARY
CAS
165963-73-5
Created by admin on Wed Apr 02 05:58:50 GMT 2025 , Edited by admin on Wed Apr 02 05:58:50 GMT 2025
PRIMARY
FDA UNII
25L8Y3R8NN
Created by admin on Wed Apr 02 05:58:50 GMT 2025 , Edited by admin on Wed Apr 02 05:58:50 GMT 2025
PRIMARY