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

Systemtic Name: (2R,3S)-1-(furan-2-ylmethyl)-6-oxidanylidene-2-pyridin-4-yl-piperidine-3-carboxylic acid Openeye Name: (2R,3S)-1-(2-furylmethyl)-6-oxo-2-(4-pyridyl)piperidine-3-carboxylic acid CAS Name: (2R,3S)-1-(2-furanylmethyl)-6-oxo-2-pyridin-4-yl-3-piperidinecarboxylic acid IUPAC Name: (2R,3S)-1-(furan-2-ylmethyl)-6-oxo-2-pyridin-4-ylpiperidine-3-carboxylic acid Traditional Name: (2R,3S)-1-(2-furfuryl)-6-keto-2-(4-pyridyl)nipecotic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C(C1C(=O)O)C2=CC=NC=C2)CC3=CC=CO3

Isomeric SMILES

C1CC(=O)N([C@H]([C@H]1C(=O)O)C2=CC=NC=C2)CC3=CC=CO3

InChI

InChI=1S/C16H16N2O4/c19-14-4-3-13(16(20)21)15(11-5-7-17-8-6-11)18(14)10-12-2-1-9-22-12/h1-2,5-9,13,15H,3-4,10H2,(H,20,21)/t13-,15-/m0/s1