[(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [(2S)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [(1S)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C=C(C=C3)F)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C21H22BrFN2O3/c1-14(28-21(27)18-10-5-15(23)13-19(18)22)20(26)24-16-6-8-17(9-7-16)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)/t14-/m0/s1