[(3S,4S)-4-phenylpiperidin-3-yl] 4-[3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: [(3S,4S)-4-phenylpiperidin-3-yl] 4-[3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: [(3S,4S)-4-phenyl-3-piperidyl] 4-[3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[3-(trifluoromethyl)-1-pyrazolyl]benzoic acid [(3S,4S)-4-phenyl-3-piperidinyl] ester IUPAC Name: [(3S,4S)-4-phenylpiperidin-3-yl] 4-[3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[3-(trifluoromethyl)pyrazol-1-yl]benzoic acid [(3S,4S)-4-phenyl-3-piperidyl] ester Formula: C22H20F3N3O2 MolecularWeight: 415.40831

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC(=N4)C(F)(F)F

Isomeric SMILES

C1CNC[C@H]([C@@H]1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N4C=CC(=N4)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2/c23-22(24,25)20-11-13-28(27-20)17-8-6-16(7-9-17)21(29)30-19-14-26-12-10-18(19)15-4-2-1-3-5-15/h1-9,11,13,18-19,26H,10,12,14H2/t18-,19+/m0/s1