2-fluoranyl-4-[5-[4-(2-methylphenyl)-3-propan-2-yloxy-phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid

Systemtic Name: 2-fluoranyl-4-[5-[4-(2-methylphenyl)-3-propan-2-yloxy-phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 2-fluoro-4-[5-[3-isopropoxy-4-(o-tolyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 2-fluoro-4-[5-[4-(2-methylphenyl)-3-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 2-fluoro-4-[5-[4-(2-methylphenyl)-3-propan-2-yloxyphenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 2-fluoro-4-[5-[3-isopropoxy-4-(o-tolyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C25H21FN2O4 MolecularWeight: 432.443643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC(=C(C=C4)C(=O)O)F)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C=C2)C3=NC(=NO3)C4=CC(=C(C=C4)C(=O)O)F)OC(C)C

InChI

InChI=1S/C25H21FN2O4/c1-14(2)31-22-13-17(9-10-19(22)18-7-5-4-6-15(18)3)24-27-23(28-32-24)16-8-11-20(25(29)30)21(26)12-16/h4-14H,1-3H3,(H,29,30)