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

Systemtic Name: 5-bromanyl-2-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 2-[(1S)-2-(tert-amylamino)-2-keto-1-methyl-ethoxy]-5-bromo-benzoate Formula: C15H19BrNO4- MolecularWeight: 357.21966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4/c1-5-15(3,4)17-13(18)9(2)21-12-7-6-10(16)8-11(12)14(19)20/h6-9H,5H2,1-4H3,(H,17,18)(H,19,20)/p-1/t9-/m0/s1