[(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(1S)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(1S)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1S)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H20BrNO5/c1-25-15-7-8-17(21)16(13-15)20(24)27-18(14-5-3-2-4-6-14)19(23)22-9-11-26-12-10-22/h2-8,13,18H,9-12H2,1H3/t18-/m0/s1