4-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2,5-diethyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2,5-diethyl-pyrazole-3-carboxylic acid Openeye Name: 4-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2,5-diethyl-pyrazole-3-carboxylic acid CAS Name: 4-[[3-bromo-2-(2-carboxyphenyl)-5-benzofuranyl]methyl]-2,5-diethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[[3-bromo-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2,5-diethylpyrazole-3-carboxylic acid Traditional Name: 4-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2,5-diethyl-pyrazole-3-carboxylic acid Formula: C24H21BrN2O5 MolecularWeight: 497.33794

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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)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H21BrN2O5/c1-3-18-16(21(24(30)31)27(4-2)26-18)11-13-9-10-19-17(12-13)20(25)22(32-19)14-7-5-6-8-15(14)23(28)29/h5-10,12H,3-4,11H2,1-2H3,(H,28,29)(H,30,31)