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

Systemtic Name: 2-[5-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]indazol-2-yl]benzoic acid Openeye Name: 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]indazol-2-yl]benzoic acid CAS Name: 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2-indazolyl]benzoic acid IUPAC Name: 2-[5-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]indazol-2-yl]benzoic acid Traditional Name: 2-[5-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]indazol-2-yl]benzoic acid Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=CN(N=C3C=C2)C4=CC=CC=C4C(=O)O)CO)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=CN(N=C3C=C2)C4=CC=CC=C4C(=O)O)CO)Cl

InChI

InChI=1S/C23H23ClN4O3/c1-2-3-8-21-25-22(24)20(14-29)27(21)12-15-9-10-18-16(11-15)13-28(26-18)19-7-5-4-6-17(19)23(30)31/h4-7,9-11,13,29H,2-3,8,12,14H2,1H3,(H,30,31)