1-[isoquinolin-6-yl(pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-isoquinolyl(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-isoquinolinyl(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[isoquinolin-6-yl(pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-isoquinolyl(3-pyridyl)methyl]proline Formula: C20H19N3O2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C20H19N3O2/c24-20(25)18-4-2-10-23(18)19(17-3-1-8-21-13-17)15-5-6-16-12-22-9-7-14(16)11-15/h1,3,5-9,11-13,18-19H,2,4,10H2,(H,24,25)