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

Systemtic Name: (2R,3S)-1-(furan-2-ylmethyl)-6-oxidanylidene-2-pyridin-2-yl-piperidine-3-carboxylic acid Openeye Name: (2R,3S)-1-(2-furylmethyl)-6-oxo-2-(2-pyridyl)piperidine-3-carboxylic acid CAS Name: (2R,3S)-1-(2-furanylmethyl)-6-oxo-2-(2-pyridinyl)-3-piperidinecarboxylic acid IUPAC Name: (2R,3S)-1-(furan-2-ylmethyl)-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid Traditional Name: (2R,3S)-1-(2-furfuryl)-6-keto-2-(2-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=CC=N2)CC3=CC=CO3

Isomeric SMILES

C1CC(=O)N([C@H]([C@H]1C(=O)O)C2=CC=CC=N2)CC3=CC=CO3

InChI

InChI=1S/C16H16N2O4/c19-14-7-6-12(16(20)21)15(13-5-1-2-8-17-13)18(14)10-11-4-3-9-22-11/h1-5,8-9,12,15H,6-7,10H2,(H,20,21)/t12-,15+/m0/s1