[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO4/c1-12(13-5-3-2-4-6-13)10-20-17(22)11-24-18(23)15-9-14(19)7-8-16(15)21/h2-9,12,21H,10-11H2,1H3,(H,20,22)/t12-/m1/s1