2-[5-[(5-aminocarbonyl-1,3-diethyl-pyrazol-4-yl)methyl]-3-bromanyl-1-benzofuran-2-yl]benzoic acid

Systemtic Name: 2-[5-[(5-aminocarbonyl-1,3-diethyl-pyrazol-4-yl)methyl]-3-bromanyl-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[(5-carbamoyl-1,3-diethyl-pyrazol-4-yl)methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[(5-carbamoyl-1,3-diethyl-4-pyrazolyl)methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[(5-carbamoyl-1,3-diethylpyrazol-4-yl)methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(5-carbamoyl-1,3-diethyl-pyrazol-4-yl)methyl]benzofuran-2-yl]benzoic acid Formula: C24H22BrN3O4 MolecularWeight: 496.35318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)N)CC

Isomeric SMILES

CCC1=NN(C(=C1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)N)CC

InChI

InChI=1S/C24H22BrN3O4/c1-3-18-16(21(23(26)29)28(4-2)27-18)11-13-9-10-19-17(12-13)20(25)22(32-19)14-7-5-6-8-15(14)24(30)31/h5-10,12H,3-4,11H2,1-2H3,(H2,26,29)(H,30,31)