2-[(4-bromanyl-2-oxidanyl-phenyl)methyl-prop-2-ynyl-amino]ethanoic acid

Systemtic Name: 2-[(4-bromanyl-2-oxidanyl-phenyl)methyl-prop-2-ynyl-amino]ethanoic acid Openeye Name: 2-[(4-bromo-2-hydroxy-phenyl)methyl-prop-2-ynyl-amino]acetic acid CAS Name: 2-[(4-bromo-2-hydroxyphenyl)methyl-prop-2-ynylamino]acetic acid IUPAC Name: 2-[(4-bromo-2-hydroxyphenyl)methyl-prop-2-ynylamino]acetic acid Traditional Name: 2-[(4-bromo-2-hydroxy-benzyl)-propargyl-amino]acetic acid Formula: C12H12BrNO3 MolecularWeight: 298.13258

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(CC1=C(C=C(C=C1)Br)O)CC(=O)O

Isomeric SMILES

C#CCN(CC1=C(C=C(C=C1)Br)O)CC(=O)O

InChI

InChI=1S/C12H12BrNO3/c1-2-5-14(8-12(16)17)7-9-3-4-10(13)6-11(9)15/h1,3-4,6,15H,5,7-8H2,(H,16,17)