(3S)-1-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: (3S)-1-[2-(2-chloranyl-6-fluoranyl-phenyl)ethanoyl]piperidine-3-carboxylate Openeye Name: (3S)-1-[2-(2-chloro-6-fluoro-phenyl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(2-chloro-6-fluorophenyl)-1-oxoethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(2-chloro-6-fluoro-phenyl)acetyl]nipecotate Formula: C14H14ClFNO3- MolecularWeight: 298.717263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=C(C=CC=C2Cl)F)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CC2=C(C=CC=C2Cl)F)C(=O)[O-]

InChI

InChI=1S/C14H15ClFNO3/c15-11-4-1-5-12(16)10(11)7-13(18)17-6-2-3-9(8-17)14(19)20/h1,4-5,9H,2-3,6-8H2,(H,19,20)/p-1/t9-/m0/s1