1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)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)C=NC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C22H20N2O4/c25-22(26)18-2-1-9-24(18)21(16-5-6-19-20(11-16)28-13-27-19)15-3-4-17-12-23-8-7-14(17)10-15/h3-8,10-12,18,21H,1-2,9,13H2,(H,25,26)