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

Systemtic Name: 4-[3-(4-dimethylaminophenyl)isoquinolin-1-yl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[[3-(4-dimethylaminophenyl)-1-isoquinolyl]oxy]pyrrolidine-2-carboxylic acid CAS Name: 4-[[3-(4-dimethylaminophenyl)-1-isoquinolinyl]oxy]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[3-(4-dimethylaminophenyl)isoquinolin-1-yl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[[3-(4-dimethylaminophenyl)-1-isoquinolyl]oxy]proline Formula: C27H31N3O5 MolecularWeight: 477.55214

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O5/c1-27(2,3)35-26(33)30-16-20(15-23(30)25(31)32)34-24-21-9-7-6-8-18(21)14-22(28-24)17-10-12-19(13-11-17)29(4)5/h6-14,20,23H,15-16H2,1-5H3,(H,31,32)