2-[3-bromanyl-5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid Formula: C24H22BrClN2O4 MolecularWeight: 517.79948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CO)Cl

InChI

InChI=1S/C24H22BrClN2O4/c1-2-3-8-20-27-23(26)18(13-29)28(20)12-14-9-10-19-17(11-14)21(25)22(32-19)15-6-4-5-7-16(15)24(30)31/h4-7,9-11,29H,2-3,8,12-13H2,1H3,(H,30,31)