methyl (2S)-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]propanoate

Systemtic Name: methyl (2S)-2-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylamino]propanoate Openeye Name: methyl (2S)-2-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]propanoate CAS Name: (2S)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoate Traditional Name: (2S)-2-[(3-bromo-4-hydroxy-5-methoxy-benzyl)amino]propionic acid methyl ester Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NCC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

C[C@@H](C(=O)OC)NCC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C12H16BrNO4/c1-7(12(16)18-3)14-6-8-4-9(13)11(15)10(5-8)17-2/h4-5,7,14-15H,6H2,1-3H3/t7-/m0/s1