[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H16BrNO4/c19-12-6-9-15(21)14(10-12)18(23)24-16(11-4-2-1-3-5-11)17(22)20-13-7-8-13/h1-6,9-10,13,16,21H,7-8H2,(H,20,22)/t16-/m1/s1