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

Systemtic Name: (3S)-3-[2,4-bis(fluoranyl)phenyl]-1-tert-butyl-piperidine-4-carboxylic acid Openeye Name: (3S)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carboxylic acid CAS Name: (3S)-1-tert-butyl-3-(2,4-difluorophenyl)-4-piperidinecarboxylic acid IUPAC Name: (3S)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carboxylic acid Traditional Name: (3S)-1-tert-butyl-3-(2,4-difluorophenyl)isonipecotic acid Formula: C16H21F2NO2 MolecularWeight: 297.340246

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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)N1CCC([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)/t12?,13-/m1/s1