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

Systemtic Name: 4-[3-(4-cyanophenyl)isoquinolin-1-yl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[[3-(4-cyanophenyl)-1-isoquinolyl]oxy]pyrrolidine-2-carboxylic acid CAS Name: 4-[[3-(4-cyanophenyl)-1-isoquinolinyl]oxy]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[3-(4-cyanophenyl)isoquinolin-1-yl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[[3-(4-cyanophenyl)-1-isoquinolyl]oxy]proline Formula: C26H25N3O5 MolecularWeight: 459.4938

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O5/c1-26(2,3)34-25(32)29-15-19(13-22(29)24(30)31)33-23-20-7-5-4-6-18(20)12-21(28-23)17-10-8-16(14-27)9-11-17/h4-12,19,22H,13,15H2,1-3H3,(H,30,31)