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

Systemtic Name: 3-[4-[5-(5-butylpyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[5-(5-butyl-2-pyridyl)-1,2,4-oxadiazol-3-yl]-3-methyl-phenyl]propanoic acid CAS Name: 3-[4-[5-(5-butyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid IUPAC Name: 3-[4-[5-(5-butylpyridin-2-yl)-1,2,4-oxadiazol-3-yl]-3-methylphenyl]propanoic acid Traditional Name: 3-[4-[5-(5-butyl-2-pyridyl)-1,2,4-oxadiazol-3-yl]-3-methyl-phenyl]propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(C=C1)C2=NC(=NO2)C3=C(C=C(C=C3)CCC(=O)O)C

Isomeric SMILES

CCCCC1=CN=C(C=C1)C2=NC(=NO2)C3=C(C=C(C=C3)CCC(=O)O)C

InChI

InChI=1S/C21H23N3O3/c1-3-4-5-16-7-10-18(22-13-16)21-23-20(24-27-21)17-9-6-15(12-14(17)2)8-11-19(25)26/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,25,26)