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

Systemtic Name: 4-[[3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-benzofuran-5-yl]methyl]-2,5-diethyl-pyrazole-3-carboxylic acid Openeye Name: 4-[[3-bromo-2-(2-tert-butoxycarbonylphenyl)benzofuran-5-yl]methyl]-2,5-diethyl-pyrazole-3-carboxylic acid CAS Name: 4-[[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]-5-benzofuranyl]methyl]-2,5-diethyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[[3-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-benzofuran-5-yl]methyl]-2,5-diethylpyrazole-3-carboxylic acid Traditional Name: 4-[[3-bromo-2-(2-tert-butoxycarbonylphenyl)benzofuran-5-yl]methyl]-2,5-diethyl-pyrazole-3-carboxylic acid Formula: C28H29BrN2O5 MolecularWeight: 553.44426

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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)OC(C)(C)C)C(=O)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN2O5/c1-6-21-19(24(26(32)33)31(7-2)30-21)14-16-12-13-22-20(15-16)23(29)25(35-22)17-10-8-9-11-18(17)27(34)36-28(3,4)5/h8-13,15H,6-7,14H2,1-5H3,(H,32,33)