methyl 3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]propanoate

Systemtic Name: methyl 3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]propanoate Openeye Name: methyl 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]propanoate CAS Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoate Traditional Name: 3-[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)NCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO3/c1-3-11(15-7-6-13(17)18-2)10-8-9(14)4-5-12(10)16/h4-5,8,11,15-16H,3,6-7H2,1-2H3