2-[3-bromanyl-5-[[5-butyl-3-(methoxymethyl)pyrazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[[5-butyl-3-(methoxymethyl)pyrazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[5-butyl-3-(methoxymethyl)pyrazol-1-yl]methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[5-butyl-3-(methoxymethyl)-1-pyrazolyl]methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[5-butyl-3-(methoxymethyl)pyrazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[[5-butyl-3-(methoxymethyl)pyrazol-1-yl]methyl]benzofuran-2-yl]benzoic acid Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=NN1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)COC

Isomeric SMILES

CCCCC1=CC(=NN1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)COC

InChI

InChI=1S/C25H25BrN2O4/c1-3-4-7-18-13-17(15-31-2)27-28(18)14-16-10-11-22-21(12-16)23(26)24(32-22)19-8-5-6-9-20(19)25(29)30/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,29,30)