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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-pyrazin-2-ylisoquinolin-1-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3-pyrazin-2-yl-1-isoquinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[[3-(2-pyrazinyl)-1-isoquinolinyl]oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-pyrazin-2-ylisoquinolin-1-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[(3-pyrazin-2-yl-1-isoquinolyl)oxy]proline Formula: C23H24N4O5 MolecularWeight: 436.46046

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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=NC=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O5/c1-23(2,3)32-22(30)27-13-15(11-19(27)21(28)29)31-20-16-7-5-4-6-14(16)10-17(26-20)18-12-24-8-9-25-18/h4-10,12,15,19H,11,13H2,1-3H3,(H,28,29)