methyl (2S)-2-[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]propanoate

Systemtic Name: methyl (2S)-2-[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]propanoate Openeye Name: methyl (2S)-2-[1-(3-bromo-4-methoxy-phenyl)ethylamino]propanoate CAS Name: (2S)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[1-(3-bromo-4-methoxyphenyl)ethylamino]propanoate Traditional Name: (2S)-2-[1-(3-bromo-4-methoxy-phenyl)ethylamino]propionic acid methyl ester Formula: C13H18BrNO3 MolecularWeight: 316.19092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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