[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-bromanyl-4-methoxy-benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-13(14-6-4-3-5-7-14)11-21-18(22)12-25-19(23)15-8-9-17(24-2)16(20)10-15/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1