3-[5-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid

Systemtic Name: 3-[5-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid Openeye Name: 3-[5-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]-1-isoquinolyl]propanoic acid CAS Name: 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-isoquinolinyl]propanoic acid IUPAC Name: 3-[5-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]isoquinolin-1-yl]propanoic acid Traditional Name: 3-[5-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]-1-isoquinolyl]propionic acid Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC4=C3C=CN=C4CCC(=O)O)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=CC4=C3C=CN=C4CCC(=O)O)C#N

InChI

InChI=1S/C24H20N4O4/c1-14(2)31-21-8-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)10-11-26-20(18)7-9-22(29)30/h3-6,8,10-12,14H,7,9H2,1-2H3,(H,29,30)