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

Systemtic Name: 2-[4-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]benzoyl]benzoic acid CAS Name: 2-[[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]benzoyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-chloro-4-methylol-imidazol-1-yl)methyl]benzoyl]benzoic acid Formula: C23H23ClN2O4 MolecularWeight: 426.89272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)Cl)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)Cl)CO

InChI

InChI=1S/C23H23ClN2O4/c1-2-3-8-20-25-19(14-27)22(24)26(20)13-15-9-11-16(12-10-15)21(28)17-6-4-5-7-18(17)23(29)30/h4-7,9-12,27H,2-3,8,13-14H2,1H3,(H,29,30)