(2S,3R)-1-(3-methoxypropyl)-6-oxidanylidene-2-pyridin-2-yl-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-1-(3-methoxypropyl)-6-oxidanylidene-2-pyridin-2-yl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-1-(3-methoxypropyl)-6-oxo-2-(2-pyridyl)piperidine-3-carboxylic acid CAS Name: (2S,3R)-1-(3-methoxypropyl)-6-oxo-2-(2-pyridinyl)-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-1-(3-methoxypropyl)-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-6-keto-1-(3-methoxypropyl)-2-(2-pyridyl)nipecotic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C(CCC1=O)C(=O)O)C2=CC=CC=N2

Isomeric SMILES

COCCCN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C15H20N2O4/c1-21-10-4-9-17-13(18)7-6-11(15(19)20)14(17)12-5-2-3-8-16-12/h2-3,5,8,11,14H,4,6-7,9-10H2,1H3,(H,19,20)/t11-,14+/m1/s1