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

Systemtic Name: 5-bromanyl-2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]oxybenzoate Traditional Name: 5-bromo-2-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethoxy]benzoate Formula: C14H17BrNO4- MolecularWeight: 343.19308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-4-8(2)16-13(17)9(3)20-12-6-5-10(15)7-11(12)14(18)19/h5-9H,4H2,1-3H3,(H,16,17)(H,18,19)/p-1/t8-,9-/m0/s1