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

Systemtic Name: 3-[3-[5-(3-cyano-4-propan-2-yloxy-phenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-phenyl]propanoic acid Openeye Name: 3-[3-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-phenyl]propanoic acid CAS Name: 3-[3-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methylphenyl]propanoic acid IUPAC Name: 3-[3-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-5-methylphenyl]propanoic acid Traditional Name: 3-[3-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]-5-methyl-phenyl]propionic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NOC(=N2)C3=CC(=C(C=C3)OC(C)C)C#N)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NOC(=N2)C3=CC(=C(C=C3)OC(C)C)C#N)CCC(=O)O

InChI

InChI=1S/C22H21N3O4/c1-13(2)28-19-6-5-16(11-18(19)12-23)22-24-21(25-29-22)17-9-14(3)8-15(10-17)4-7-20(26)27/h5-6,8-11,13H,4,7H2,1-3H3,(H,26,27)