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

Systemtic Name: 2-[3-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]carbonylbenzoic acid Openeye Name: 2-[3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoyl]benzoic acid CAS Name: 2-[[3-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[3-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]benzoyl]benzoic acid Traditional Name: 2-[3-[(2-butyl-4-chloro-5-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=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)CO)Cl

Isomeric SMILES

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

InChI

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