(3S)-1-[[2,6-bis(fluoranyl)phenyl]carbamoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[[2,6-bis(fluoranyl)phenyl]carbamoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[(2,6-difluorophenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2,6-difluoroanilino)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[(2,6-difluorophenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(2,6-difluorophenyl)carbamoyl]nipecotate Formula: C13H13F2N2O3- MolecularWeight: 283.250726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NC2=C(C=CC=C2F)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NC2=C(C=CC=C2F)F)C(=O)[O-]

InChI

InChI=1S/C13H14F2N2O3/c14-9-4-1-5-10(15)11(9)16-13(20)17-6-2-3-8(7-17)12(18)19/h1,4-5,8H,2-3,6-7H2,(H,16,20)(H,18,19)/p-1/t8-/m0/s1