[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-8(2)16-13(17)9(3)20-14(18)10-5-6-12(19-4)11(15)7-10/h5-9H,1-4H3,(H,16,17)/t9-/m0/s1