propan-2-yl (5S)-5-oxidanyl-3-oxidanylidene-5-pyridin-3-yl-pentanoate

Systemtic Name: propan-2-yl (5S)-5-oxidanyl-3-oxidanylidene-5-pyridin-3-yl-pentanoate Openeye Name: isopropyl (5S)-5-hydroxy-3-oxo-5-(3-pyridyl)pentanoate CAS Name: (5S)-5-hydroxy-3-oxo-5-(3-pyridinyl)pentanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (5S)-5-hydroxy-3-oxo-5-pyridin-3-ylpentanoate Traditional Name: (5S)-5-hydroxy-3-keto-5-(3-pyridyl)valeric acid isopropyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(=O)CC(C1=CN=CC=C1)O

Isomeric SMILES

CC(C)OC(=O)CC(=O)C[C@@H](C1=CN=CC=C1)O

InChI

InChI=1S/C13H17NO4/c1-9(2)18-13(17)7-11(15)6-12(16)10-4-3-5-14-8-10/h3-5,8-9,12,16H,6-7H2,1-2H3/t12-/m0/s1