[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrNO4 MolecularWeight: 392.24382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C18H18BrNO4/c1-3-20(14-7-5-4-6-8-14)17(22)12(2)24-18(23)15-11-13(19)9-10-16(15)21/h4-12,21H,3H2,1-2H3/t12-/m0/s1