[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C15H16ClFN2O4 MolecularWeight: 342.749943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)F)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=C(C=C(C=C2)Cl)F)C(=O)N

InChI

InChI=1S/C15H16ClFN2O4/c16-10-3-4-11(12(17)6-10)15(22)23-8-13(20)19-5-1-2-9(7-19)14(18)21/h3-4,6,9H,1-2,5,7-8H2,(H2,18,21)/t9-/m0/s1