(2S,3R)-2-(furan-2-yl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylate

Systemtic Name: (2S,3R)-2-(furan-2-yl)-6-oxidanylidene-1-propyl-piperidine-3-carboxylate Openeye Name: (2S,3R)-2-(2-furyl)-6-oxo-1-propyl-piperidine-3-carboxylate CAS Name: (2S,3R)-2-(2-furanyl)-6-oxo-1-propyl-3-piperidinecarboxylate IUPAC Name: (2S,3R)-2-(furan-2-yl)-6-oxo-1-propylpiperidine-3-carboxylate Traditional Name: (2S,3R)-2-(2-furyl)-6-keto-1-propyl-nipecotate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(C(CCC1=O)C(=O)[O-])C2=CC=CO2

Isomeric SMILES

CCCN1[C@@H]([C@@H](CCC1=O)C(=O)[O-])C2=CC=CO2

InChI

InChI=1S/C13H17NO4/c1-2-7-14-11(15)6-5-9(13(16)17)12(14)10-4-3-8-18-10/h3-4,8-9,12H,2,5-7H2,1H3,(H,16,17)/p-1/t9-,12+/m1/s1