methyl (5S)-5-acetyloxy-5-(6-bromanylpyridin-2-yl)pentanoate

Systemtic Name: methyl (5S)-5-acetyloxy-5-(6-bromanylpyridin-2-yl)pentanoate Openeye Name: methyl (5S)-5-acetoxy-5-(6-bromo-2-pyridyl)pentanoate CAS Name: (5S)-5-acetyloxy-5-(6-bromo-2-pyridinyl)pentanoic acid methyl ester IUPAC Name: methyl (5S)-5-acetyloxy-5-(6-bromopyridin-2-yl)pentanoate Traditional Name: (5S)-5-acetoxy-5-(6-bromo-2-pyridyl)valeric acid methyl ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4/c1-9(16)19-11(6-4-8-13(17)18-2)10-5-3-7-12(14)15-10/h3,5,7,11H,4,6,8H2,1-2H3/t11-/m0/s1