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

Systemtic Name: 2-[3-bromanyl-5-[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-(2-butyl-4-chloro-5-methylol-imidazol-1-yl)benzofuran-2-yl]benzoic acid Formula: C23H20BrClN2O4 MolecularWeight: 503.7729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)CO)Cl

InChI

InChI=1S/C23H20BrClN2O4/c1-2-3-8-19-26-22(25)17(12-28)27(19)13-9-10-18-16(11-13)20(24)21(31-18)14-6-4-5-7-15(14)23(29)30/h4-7,9-11,28H,2-3,8,12H2,1H3,(H,29,30)