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

Systemtic Name: 3-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-quinolin-2-yl-benzoic acid Openeye Name: 3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-(2-quinolyl)benzoic acid CAS Name: 3-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-(2-quinolinyl)benzoic acid IUPAC Name: 3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-quinolin-2-ylbenzoic acid Traditional Name: 3-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-2-(2-quinolyl)benzoic acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=CC(=C2C3=NC4=CC=CC=C4C=C3)C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=CC(=C2C3=NC4=CC=CC=C4C=C3)C(=O)O)CO)Cl

InChI

InChI=1S/C25H24ClN3O3/c1-2-3-11-22-28-24(26)21(15-30)29(22)14-17-8-6-9-18(25(31)32)23(17)20-13-12-16-7-4-5-10-19(16)27-20/h4-10,12-13,30H,2-3,11,14-15H2,1H3,(H,31,32)