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

Systemtic Name: tert-butyl (3S)-3-[3,4-bis(fluoranyl)phenyl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(3,4-difluorobenzoyl)piperidine-1-carboxylate CAS Name: (3S)-3-[(3,4-difluorophenyl)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(3,4-difluorobenzoyl)piperidine-1-carboxylate Traditional Name: (3S)-3-(3,4-difluorobenzoyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C17H21F2NO3 MolecularWeight: 325.350346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C17H21F2NO3/c1-17(2,3)23-16(22)20-8-4-5-12(10-20)15(21)11-6-7-13(18)14(19)9-11/h6-7,9,12H,4-5,8,10H2,1-3H3/t12-/m0/s1