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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenylisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3-phenyl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(3-phenyl-1-isoquinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenylisoquinolin-1-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(3-phenyl-1-isoquinolyl)oxy]proline Formula: C25H26N2O5 MolecularWeight: 434.48434

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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)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5/c1-25(2,3)32-24(30)27-15-18(14-21(27)23(28)29)31-22-19-12-8-7-11-17(19)13-20(26-22)16-9-5-4-6-10-16/h4-13,18,21H,14-15H2,1-3H3,(H,28,29)