[(2R)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-13(15-7-5-4-6-8-15)12-22-19(23)14(2)26-20(24)17-11-16(25-3)9-10-18(17)21/h4-11,13-14H,12H2,1-3H3,(H,22,23)/t13-,14+/m0/s1