4-(1-chloranyl-6-methoxy-isoquinolin-7-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(1-chloranyl-6-methoxy-isoquinolin-7-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(1-chloro-6-methoxy-7-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 4-[(1-chloro-6-methoxy-7-isoquinolinyl)oxy]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(1-chloro-6-methoxyisoquinolin-7-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(1-chloro-6-methoxy-7-isoquinolyl)oxy]proline Formula: C20H23ClN2O6 MolecularWeight: 422.85942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=C(C=C3C=CN=C(C3=C2)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=C(C=C3C=CN=C(C3=C2)Cl)OC

InChI

InChI=1S/C20H23ClN2O6/c1-20(2,3)29-19(26)23-10-12(8-14(23)18(24)25)28-16-9-13-11(7-15(16)27-4)5-6-22-17(13)21/h5-7,9,12,14H,8,10H2,1-4H3,(H,24,25)