tert-butyl (5S)-3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate

Systemtic Name: tert-butyl (5S)-3-(4-methoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Openeye Name: tert-butyl (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate CAS Name: (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate Traditional Name: (5S)-5-hydroxy-3-(4-methoxyphenyl)-5-(trifluoromethyl)-2-pyrazoline-1-carboxylic acid tert-butyl ester Formula: C16H19F3N2O4 MolecularWeight: 360.32827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N2O4/c1-14(2,3)25-13(22)21-15(23,16(17,18)19)9-12(20-21)10-5-7-11(24-4)8-6-10/h5-8,23H,9H2,1-4H3/t15-/m0/s1