(1S,2R,3R,4R)-2-piperidin-1-ylcarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: (1S,2R,3R,4R)-2-piperidin-1-ylcarbonyl-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: (1S,2R,3R,4R)-2-(piperidine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: (1S,2R,3R,4R)-2-[oxo(1-piperidinyl)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate IUPAC Name: (1S,2R,3R,4R)-2-(piperidine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: (1S,2R,3R,4R)-2-(piperidine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-3-carboxylate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2C3C=CC(C2C(=O)[O-])O3

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)[O-])O3

InChI

InChI=1S/C13H17NO4/c15-12(14-6-2-1-3-7-14)10-8-4-5-9(18-8)11(10)13(16)17/h4-5,8-11H,1-3,6-7H2,(H,16,17)/p-1/t8-,9+,10-,11-/m0/s1