acetamido 2-[(6-bromanylpyridin-2-yl)-oxidanyl-methyl]butanoate

Systemtic Name: acetamido 2-[(6-bromanylpyridin-2-yl)-oxidanyl-methyl]butanoate Openeye Name: acetamido 2-[(6-bromo-2-pyridyl)-hydroxy-methyl]butanoate CAS Name: 2-[(6-bromo-2-pyridinyl)-hydroxymethyl]butanoic acid acetamido ester IUPAC Name: acetamido 2-[(6-bromopyridin-2-yl)-hydroxymethyl]butanoate Traditional Name: 2-[(6-bromo-2-pyridyl)-hydroxy-methyl]butyric acid acetamido ester Formula: C12H15BrN2O4 MolecularWeight: 331.1625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O4/c1-3-8(12(18)19-15-7(2)16)11(17)9-5-4-6-10(13)14-9/h4-6,8,11,17H,3H2,1-2H3,(H,15,16)