(4-tert-butyl-2-methyl-phenyl) 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propionic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-14-13-16(22(2,3)4)7-10-18(14)27-20(26)12-11-19-24-21(25-28-19)15-5-8-17(23)9-6-15/h5-10,13H,11-12H2,1-4H3