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

Systemtic Name: 2-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]thiophen-2-yl]benzoic acid Openeye Name: 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-thienyl]benzoic acid CAS Name: 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-thiophenyl]benzoic acid IUPAC Name: 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]thiophen-2-yl]benzoic acid Traditional Name: 2-[5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-2-thienyl]benzoic acid Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3=CC=CC=C3C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(S2)C3=CC=CC=C3C(=O)O)CO)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-2-3-8-18-22-19(21)16(12-24)23(18)11-13-9-10-17(27-13)14-6-4-5-7-15(14)20(25)26/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,25,26)