(3S)-1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[2,4-bis(fluoranyl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(2,4-difluorophenyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2,4-difluorobenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2,4-difluorobenzoyl)nipecotate Formula: C13H12F2NO3- MolecularWeight: 268.236086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(C=C(C=C2)F)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(C=C(C=C2)F)F)C(=O)[O-]

InChI

InChI=1S/C13H13F2NO3/c14-9-3-4-10(11(15)6-9)12(17)16-5-1-2-8(7-16)13(18)19/h3-4,6,8H,1-2,5,7H2,(H,18,19)/p-1/t8-/m0/s1