[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-bromanyl-4-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-bromanyl-4-fluoranyl-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-bromo-4-fluoro-benzoate CAS Name: 2-bromo-4-fluorobenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-bromo-4-fluorobenzoate Traditional Name: 2-bromo-4-fluoro-benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C18H17BrFNO3 MolecularWeight: 394.234883

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=C(C=C(C=C1)F)Br)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=C(C=C(C=C1)F)Br)C2=CC=CC=C2

InChI

InChI=1S/C18H17BrFNO3/c1-12(13-5-3-2-4-6-13)10-21-17(22)11-24-18(23)15-8-7-14(20)9-16(15)19/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1