methyl (2S)-3-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-2-(methylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-bromanyl-5-chloranyl-4-oxidanyl-phenyl)-2-(methylamino)propanoate Openeye Name: methyl (2S)-3-(3-bromo-5-chloro-4-hydroxy-phenyl)-2-(methylamino)propanoate CAS Name: (2S)-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-(methylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-bromo-5-chloro-4-hydroxyphenyl)-2-(methylamino)propanoate Traditional Name: (2S)-3-(3-bromo-5-chloro-4-hydroxy-phenyl)-2-(methylamino)propionic acid methyl ester Formula: C11H13BrClNO3 MolecularWeight: 322.58282

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC(=C(C(=C1)Br)O)Cl)C(=O)OC

Isomeric SMILES

CN[C@@H](CC1=CC(=C(C(=C1)Br)O)Cl)C(=O)OC

InChI

InChI=1S/C11H13BrClNO3/c1-14-9(11(16)17-2)5-6-3-7(12)10(15)8(13)4-6/h3-4,9,14-15H,5H2,1-2H3/t9-/m0/s1