3-[5-[5-(5-chloranyl-6-propan-2-yloxy-pyridin-3-yl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid

Systemtic Name: 3-[5-[5-(5-chloranyl-6-propan-2-yloxy-pyridin-3-yl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid Openeye Name: 3-[5-[5-(5-chloro-6-isopropoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]-1-isoquinolyl]propanoic acid CAS Name: 3-[5-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-isoquinolinyl]propanoic acid IUPAC Name: 3-[5-[5-(5-chloro-6-propan-2-yloxypyridin-3-yl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid Traditional Name: 3-[5-[5-(5-chloro-6-isopropoxy-3-pyridyl)-1,2,4-oxadiazol-3-yl]-1-isoquinolyl]propionic acid Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=N1)C2=NC(=NO2)C3=CC=CC4=C3C=CN=C4CCC(=O)O)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=N1)C2=NC(=NO2)C3=CC=CC4=C3C=CN=C4CCC(=O)O)Cl

InChI

InChI=1S/C22H19ClN4O4/c1-12(2)30-22-17(23)10-13(11-25-22)21-26-20(27-31-21)16-5-3-4-15-14(16)8-9-24-18(15)6-7-19(28)29/h3-5,8-12H,6-7H2,1-2H3,(H,28,29)