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

Systemtic Name: 3-[4-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid Openeye Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid CAS Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-1-indolyl]propanoic acid IUPAC Name: 3-[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propanoic acid Traditional Name: 3-[4-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]indol-1-yl]propionic acid Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCC(=O)O)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4C=CN(C4=CC=C3)CCC(=O)O)C#N

InChI

InChI=1S/C23H20N4O4/c1-14(2)30-20-7-6-15(12-16(20)13-24)23-25-22(26-31-23)18-4-3-5-19-17(18)8-10-27(19)11-9-21(28)29/h3-8,10,12,14H,9,11H2,1-2H3,(H,28,29)