3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]propanoic acid

Systemtic Name: 3-[1-(5-bromanyl-2-oxidanyl-phenyl)propylamino]propanoic acid Openeye Name: 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]propanoic acid CAS Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid IUPAC Name: 3-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid Traditional Name: 3-[1-(5-bromo-2-hydroxy-phenyl)propylamino]propionic acid Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrNO3/c1-2-10(14-6-5-12(16)17)9-7-8(13)3-4-11(9)15/h3-4,7,10,14-15H,2,5-6H2,1H3,(H,16,17)