(3S,4S)-3-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-piperidine-4-carboxylate

Systemtic Name: (3S,4S)-3-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-piperidine-4-carboxylate Openeye Name: (3S,4S)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carboxylate CAS Name: (3S,4S)-1-tert-butyl-3-(2,4-difluorophenyl)-4-piperidinecarboxylate IUPAC Name: (3S,4S)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carboxylate Traditional Name: (3S,4S)-1-tert-butyl-3-(2,4-difluorophenyl)isonipecotate Formula: C16H20F2NO2- MolecularWeight: 296.332306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCC(C(C1)C2=C(C=C(C=C2)F)F)C(=O)[O-]

Isomeric SMILES

CC(C)(C)N1CC[C@@H]([C@H](C1)C2=C(C=C(C=C2)F)F)C(=O)[O-]

InChI

InChI=1S/C16H21F2NO2/c1-16(2,3)19-7-6-12(15(20)21)13(9-19)11-5-4-10(17)8-14(11)18/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,20,21)/p-1/t12-,13+/m0/s1