4-(3-chloranyl-6-methoxy-isoquinolin-1-yl)oxy-1-[methyl(oxidanyl)boranyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chloranyl-6-methoxy-isoquinolin-1-yl)oxy-1-[methyl(oxidanyl)boranyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(3-chloro-6-methoxy-1-isoquinolyl)oxy]-1-[hydroxy(methyl)boranyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chloro-6-methoxy-1-isoquinolinyl)oxy]-1-[hydroxy(methyl)boranyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chloro-6-methoxyisoquinolin-1-yl)oxy-1-[hydroxy(methyl)boranyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(3-chloro-6-methoxy-1-isoquinolyl)oxy]-1-[hydroxy(methyl)boranyl]proline Formula: C16H18BClN2O5 MolecularWeight: 364.58852

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Descriptors Computed from Structure

Canonical SMILES:

B(C)(N1CC(CC1C(=O)O)OC2=C3C=CC(=CC3=CC(=N2)Cl)OC)O

Isomeric SMILES

B(C)(N1CC(CC1C(=O)O)OC2=C3C=CC(=CC3=CC(=N2)Cl)OC)O

InChI

InChI=1S/C16H18BClN2O5/c1-17(23)20-8-11(7-13(20)16(21)22)25-15-12-4-3-10(24-2)5-9(12)6-14(18)19-15/h3-6,11,13,23H,7-8H2,1-2H3,(H,21,22)