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

Systemtic Name: 2-fluoranyl-4-[5-[3-(3-methoxyprop-1-ynyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Openeye Name: 2-fluoro-4-[5-[3-(3-methoxyprop-1-ynyl)-4-(o-tolyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid CAS Name: 2-fluoro-4-[5-[3-(3-methoxyprop-1-ynyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid IUPAC Name: 2-fluoro-4-[5-[3-(3-methoxyprop-1-ynyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Traditional Name: 2-fluoro-4-[5-[3-(3-methoxyprop-1-ynyl)-4-(o-tolyl)phenyl]-1,2,4-oxadiazol-3-yl]benzoic acid Formula: C26H19FN2O4 MolecularWeight: 442.438463

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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)C#CCOC

Isomeric SMILES

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

InChI

InChI=1S/C26H19FN2O4/c1-16-6-3-4-8-20(16)21-11-10-19(14-17(21)7-5-13-32-2)25-28-24(29-33-25)18-9-12-22(26(30)31)23(27)15-18/h3-4,6,8-12,14-15H,13H2,1-2H3,(H,30,31)