5-bromanyl-2-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoate

Systemtic Name: 5-bromanyl-2-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-1-methyl-2-oxo-2-(propylamino)ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-oxo-1-(propylamino)propan-2-yl]oxybenzoate Traditional Name: 5-bromo-2-[(1S)-2-keto-1-methyl-2-(propylamino)ethoxy]benzoate Formula: C13H15BrNO4- MolecularWeight: 329.1665

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H](C)OC1=C(C=C(C=C1)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO4/c1-3-6-15-12(16)8(2)19-11-5-4-9(14)7-10(11)13(17)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18)/p-1/t8-/m0/s1