[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3)Br

InChI

InChI=1S/C19H18BrNO4/c1-24-16-10-7-13(11-15(16)20)19(23)25-17(12-5-3-2-4-6-12)18(22)21-14-8-9-14/h2-7,10-11,14,17H,8-9H2,1H3,(H,21,22)/t17-/m1/s1