[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H16BrNO5 MolecularWeight: 358.18454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C14H16BrNO5/c1-7(13(18)16-9-3-4-9)21-14(19)8-5-10(15)12(17)11(6-8)20-2/h5-7,9,17H,3-4H2,1-2H3,(H,16,18)/t7-/m1/s1