(5-acetyloxy-4-butyl-3-oxidanyl-1,2-diphenyl-pyrazol-3-yl) 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: (5-acetyloxy-4-butyl-3-oxidanyl-1,2-diphenyl-pyrazol-3-yl) 2,2,2-tris(fluoranyl)ethanoate Openeye Name: (5-acetoxy-4-butyl-3-hydroxy-1,2-diphenyl-pyrazol-3-yl) 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid (5-acetyloxy-4-butyl-3-hydroxy-1,2-diphenyl-3-pyrazolyl) ester IUPAC Name: (5-acetyloxy-4-butyl-3-hydroxy-1,2-diphenylpyrazol-3-yl) 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid (5-acetoxy-4-butyl-3-hydroxy-1,2-diphenyl-3-pyrazolin-3-yl) ester Formula: C23H23F3N2O5 MolecularWeight: 464.43433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1(O)OC(=O)C(F)(F)F)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCCCC1=C(N(N(C1(O)OC(=O)C(F)(F)F)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C23H23F3N2O5/c1-3-4-15-19-20(32-16(2)29)27(17-11-7-5-8-12-17)28(18-13-9-6-10-14-18)23(19,31)33-21(30)22(24,25)26/h5-14,31H,3-4,15H2,1-2H3