4-(3-chloranylisoquinolin-1-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chloranylisoquinolin-1-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3-chloro-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chloro-1-isoquinolinyl)oxy]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chloroisoquinolin-1-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(3-chloro-1-isoquinolyl)oxy]proline Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=NC(=CC3=CC=CC=C32)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=NC(=CC3=CC=CC=C32)Cl

InChI

InChI=1S/C19H21ClN2O5/c1-19(2,3)27-18(25)22-10-12(9-14(22)17(23)24)26-16-13-7-5-4-6-11(13)8-15(20)21-16/h4-8,12,14H,9-10H2,1-3H3,(H,23,24)