1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(3-quinolyl)methyl]proline Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5N=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5N=C4)C(=O)O

InChI

InChI=1S/C22H20N2O4/c25-22(26)18-6-3-9-24(18)21(15-7-8-19-20(11-15)28-13-27-19)16-10-14-4-1-2-5-17(14)23-12-16/h1-2,4-5,7-8,10-12,18,21H,3,6,9,13H2,(H,25,26)