(2S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(piperonylcarbamoyl)proline Formula: C14H16N2O5 MolecularWeight: 292.28724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C14H16N2O5/c17-13(18)10-2-1-5-16(10)14(19)15-7-9-3-4-11-12(6-9)21-8-20-11/h3-4,6,10H,1-2,5,7-8H2,(H,15,19)(H,17,18)/t10-/m0/s1