tert-butyl 2-[(5S)-3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl 2-[(5S)-3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxidanylidene-ethanoate Openeye Name: tert-butyl 2-[(5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxo-acetate CAS Name: 2-[(5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-oxoacetate Traditional Name: 2-[(5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-keto-acetic acid tert-butyl ester Formula: C17H19F3N2O5 MolecularWeight: 388.33837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C(=O)N1[C@](CC(=N1)C2=CC=C(C=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)10-5-7-11(26-4)8-6-10/h5-8,25H,9H2,1-4H3/t16-/m0/s1