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

Systemtic Name: 1-[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]-2,5-diethyl-4-methyl-3H-pyrazole-3-carboxylic acid Openeye Name: 1-[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]-2,5-diethyl-4-methyl-3H-pyrazole-3-carboxylic acid CAS Name: 1-[3-bromo-2-(2-carboxyphenyl)-5-benzofuranyl]-2,5-diethyl-4-methyl-3H-pyrazole-3-carboxylic acid IUPAC Name: 1-[3-bromo-2-(2-carboxyphenyl)-1-benzofuran-5-yl]-2,5-diethyl-4-methyl-3H-pyrazole-3-carboxylic acid Traditional Name: 1-[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]-2,5-diethyl-4-methyl-3-pyrazoline-3-carboxylic acid Formula: C24H23BrN2O5 MolecularWeight: 499.35382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(N(N1C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CC)C(=O)O)C

Isomeric SMILES

CCC1=C(C(N(N1C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CC)C(=O)O)C

InChI

InChI=1S/C24H23BrN2O5/c1-4-18-13(3)21(24(30)31)26(5-2)27(18)14-10-11-19-17(12-14)20(25)22(32-19)15-8-6-7-9-16(15)23(28)29/h6-12,21H,4-5H2,1-3H3,(H,28,29)(H,30,31)