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

Systemtic Name: (2S,3R)-1-(2-methylpropyl)-6-oxidanylidene-2-pyridin-2-yl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-1-isobutyl-6-oxo-2-(2-pyridyl)piperidine-3-carboxylic acid CAS Name: (2S,3R)-1-(2-methylpropyl)-6-oxo-2-(2-pyridinyl)-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-1-(2-methylpropyl)-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-1-isobutyl-6-keto-2-(2-pyridyl)nipecotic acid Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(CCC1=O)C(=O)O)C2=CC=CC=N2

Isomeric SMILES

CC(C)CN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C15H20N2O3/c1-10(2)9-17-13(18)7-6-11(15(19)20)14(17)12-5-3-4-8-16-12/h3-5,8,10-11,14H,6-7,9H2,1-2H3,(H,19,20)/t11-,14+/m1/s1