[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C16H18BrFN2O5 MolecularWeight: 417.226923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)COC2=C(C=C(C=C2)F)Br)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)COC2=C(C=C(C=C2)F)Br)C(=O)N

InChI

InChI=1S/C16H18BrFN2O5/c17-12-6-11(18)3-4-13(12)24-9-15(22)25-8-14(21)20-5-1-2-10(7-20)16(19)23/h3-4,6,10H,1-2,5,7-9H2,(H2,19,23)/t10-/m0/s1