(2S,3R)-1-(2-methoxyethyl)-6-oxidanylidene-2-pyridin-4-yl-piperidine-3-carboxylic acid

Systemtic Name: (2S,3R)-1-(2-methoxyethyl)-6-oxidanylidene-2-pyridin-4-yl-piperidine-3-carboxylic acid Openeye Name: (2S,3R)-1-(2-methoxyethyl)-6-oxo-2-(4-pyridyl)piperidine-3-carboxylic acid CAS Name: (2S,3R)-1-(2-methoxyethyl)-6-oxo-2-pyridin-4-yl-3-piperidinecarboxylic acid IUPAC Name: (2S,3R)-1-(2-methoxyethyl)-6-oxo-2-pyridin-4-ylpiperidine-3-carboxylic acid Traditional Name: (2S,3R)-6-keto-1-(2-methoxyethyl)-2-(4-pyridyl)nipecotic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(CCC1=O)C(=O)O)C2=CC=NC=C2

Isomeric SMILES

COCCN1[C@@H]([C@@H](CCC1=O)C(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C14H18N2O4/c1-20-9-8-16-12(17)3-2-11(14(18)19)13(16)10-4-6-15-7-5-10/h4-7,11,13H,2-3,8-9H2,1H3,(H,18,19)/t11-,13-/m1/s1