(3S)-1-(2-cyano-4-fluoranyl-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(2-cyano-4-fluoranyl-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(2-cyano-4-fluoro-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(2-cyano-4-fluorophenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(2-cyano-4-fluorophenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(2-cyano-4-fluoro-phenyl)nipecotate Formula: C13H12FN2O2- MolecularWeight: 247.244983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O2/c14-11-3-4-12(10(6-11)7-15)16-5-1-2-9(8-16)13(17)18/h3-4,6,9H,1-2,5,8H2,(H,17,18)/p-1/t9-/m0/s1