2-[6-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]quinolin-2-yl]benzoic acid

Systemtic Name: 2-[6-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]quinolin-2-yl]benzoic acid Openeye Name: 2-[6-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2-quinolyl]benzoic acid CAS Name: 2-[6-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-quinolinyl]benzoic acid IUPAC Name: 2-[6-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]quinolin-2-yl]benzoic acid Traditional Name: 2-[6-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]-2-quinolyl]benzoic acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C(=O)O)CO)Cl

InChI

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