methyl (2S)-2-azanyl-3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: methyl (2S)-2-amino-3-(2-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: (2S)-2-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(2-bromo-4,5-dimethoxy-phenyl)propionic acid methyl ester Formula: C12H16BrNO4 MolecularWeight: 318.16374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(C(=O)OC)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[C@@H](C(=O)OC)N)Br)OC

InChI

InChI=1S/C12H16BrNO4/c1-16-10-5-7(4-9(14)12(15)18-3)8(13)6-11(10)17-2/h5-6,9H,4,14H2,1-3H3/t9-/m0/s1