[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)OC)Br

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)OC)Br

InChI

InChI=1S/C20H22BrNO4/c1-4-22(5-2)19(23)18(14-9-7-6-8-10-14)26-20(24)16-13-15(25-3)11-12-17(16)21/h6-13,18H,4-5H2,1-3H3/t18-/m0/s1