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

Systemtic Name: 4-[3-(4-methoxyphenyl)isoquinolin-1-yl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[[3-(4-methoxyphenyl)-1-isoquinolyl]oxy]pyrrolidine-2-carboxylic acid CAS Name: 4-[[3-(4-methoxyphenyl)-1-isoquinolinyl]oxy]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[3-(4-methoxyphenyl)isoquinolin-1-yl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[[3-(4-methoxyphenyl)-1-isoquinolyl]oxy]proline Formula: C26H28N2O6 MolecularWeight: 464.51032

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O6/c1-26(2,3)34-25(31)28-15-19(14-22(28)24(29)30)33-23-20-8-6-5-7-17(20)13-21(27-23)16-9-11-18(32-4)12-10-16/h5-13,19,22H,14-15H2,1-4H3,(H,29,30)