(2R,4S)-1-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S)-1-(1,3-benzodioxol-5-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: (2R,4S)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: (2R,4S)-4-hydroxy-1-piperonyloyl-proline Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1[C@@H](CN([C@H]1C(=O)O)C(=O)C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C13H13NO6/c15-8-4-9(13(17)18)14(5-8)12(16)7-1-2-10-11(3-7)20-6-19-10/h1-3,8-9,15H,4-6H2,(H,17,18)/t8-,9+/m0/s1