3-methyl-4-[3-[3-[(pyridin-2-ylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-methyl-4-[3-[3-[(pyridin-2-ylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-methyl-4-[3-[3-[(2-pyridylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-methyl-4-[3-[3-[(2-pyridinylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-methyl-4-[3-[3-[(pyridin-2-ylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 3-methyl-4-[3-[3-[(2-pyridylamino)methyl]phenyl]-1,2,4-oxadiazol-5-yl]butyric acid; 2,2,2-trifluoroacetic acid Formula: C21H21F3N4O5 MolecularWeight: 466.41045

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC(=NO1)C2=CC(=CC=C2)CNC3=CC=CC=N3)CC(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(CC1=NC(=NO1)C2=CC(=CC=C2)CNC3=CC=CC=N3)CC(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H20N4O3.C2HF3O2/c1-13(10-18(24)25)9-17-22-19(23-26-17)15-6-4-5-14(11-15)12-21-16-7-2-3-8-20-16;3-2(4,5)1(6)7/h2-8,11,13H,9-10,12H2,1H3,(H,20,21)(H,24,25);(H,6,7)