methyl (2S)-2-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]propanoate

Systemtic Name: methyl (2S)-2-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]propanoate Openeye Name: methyl (2S)-2-[1-(5-bromo-2-hydroxy-phenyl)propylamino]propanoate CAS Name: (2S)-2-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoate Traditional Name: (2S)-2-[1-(5-bromo-2-hydroxy-phenyl)propylamino]propionic acid methyl ester Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)NC(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO3/c1-4-11(15-8(2)13(17)18-3)10-7-9(14)5-6-12(10)16/h5-8,11,15-16H,4H2,1-3H3/t8-,11?/m0/s1