tert-butyl 2-[(3R)-5-(3-methoxyphenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl 2-[(3R)-5-(3-methoxyphenyl)-3-oxidanyl-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[(3R)-3-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxo-acetate CAS Name: 2-[(3R)-3-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R)-3-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol-2-yl]-2-oxoacetate Traditional Name: 2-[(5R)-5-hydroxy-3-(3-methoxyphenyl)-5-(trifluoromethyl)-3-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C17H19F3N2O5 MolecularWeight: 388.33837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=O)N1C(C=C(N1)C2=CC(=CC=C2)OC)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)N1[C@@](C=C(N1)C2=CC(=CC=C2)OC)(C(F)(F)F)O

InChI

InChI=1S/C17H19F3N2O5/c1-15(2,3)27-14(24)13(23)22-16(25,17(18,19)20)9-12(21-22)10-6-5-7-11(8-10)26-4/h5-9,21,25H,1-4H3/t16-/m1/s1