Catalog Number:
AG01B27R
Chemical Name:
1-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}-5-(difluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
2044903-03-7
Molecular Formula:
C13H18F2N4O4
Molecular Weight:
332.3032
MDL Number:
MFCD30476094
IUPAC Name:
5-(difluoromethyl)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazole-4-carboxylic acid
InChI:
InChI=1S/C13H18F2N4O4/c1-13(2,3)23-12(22)18-5-4-7(6-18)19-9(10(14)15)8(11(20)21)16-17-19/h7,10H,4-6H2,1-3H3,(H,20,21)
InChI Key:
AIUCLDIYFSSSMS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)n1nnc(c1C(F)F)C(=O)O)OC(C)(C)C