3-(5-aminocarbonyl-1,3-diethyl-pyrazol-4-yl)-2-(3-bromanyl-4-methyl-1-benzofuran-2-yl)benzoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-(5-aminocarbonyl-1,3-diethyl-pyrazol-4-yl)-2-(3-bromanyl-4-methyl-1-benzofuran-2-yl)benzoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(3-bromo-4-methyl-benzofuran-2-yl)-3-(5-carbamoyl-1,3-diethyl-pyrazol-4-yl)benzoic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-(3-bromo-4-methyl-2-benzofuranyl)-3-(5-carbamoyl-1,3-diethyl-4-pyrazolyl)benzoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(3-bromo-4-methyl-1-benzofuran-2-yl)-3-(5-carbamoyl-1,3-diethylpyrazol-4-yl)benzoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-(3-bromo-4-methyl-benzofuran-2-yl)-3-(5-carbamoyl-1,3-diethyl-pyrazol-4-yl)benzoic acid; 2,2,2-trifluoroacetic acid Formula: C26H23BrF3N3O6 MolecularWeight: 610.37653

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C2=C(C(=CC=C2)C(=O)O)C3=C(C4=C(C=CC=C4O3)C)Br)C(=O)N)CC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCC1=NN(C(=C1C2=C(C(=CC=C2)C(=O)O)C3=C(C4=C(C=CC=C4O3)C)Br)C(=O)N)CC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C24H22BrN3O4.C2HF3O2/c1-4-15-19(21(23(26)29)28(5-2)27-15)13-9-7-10-14(24(30)31)18(13)22-20(25)17-12(3)8-6-11-16(17)32-22;3-2(4,5)1(6)7/h6-11H,4-5H2,1-3H3,(H2,26,29)(H,30,31);(H,6,7)