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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(2-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-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=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

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