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

Systemtic Name: 2-[4-[[2-butyl-5-chloranyl-3-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[[2-butyl-5-chloro-3-(hydroxymethyl)-2H-imidazol-1-yl]methyl]benzoyl]benzoic acid CAS Name: 2-[[4-[[2-butyl-5-chloro-3-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-chloro-3-(hydroxymethyl)-2H-imidazol-1-yl]methyl]benzoyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-chloro-3-methylol-4-imidazolin-1-yl)methyl]benzoyl]benzoic acid Formula: C23H25ClN2O4 MolecularWeight: 428.9086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)Cl)CO

Isomeric SMILES

CCCCC1N(C=C(N1CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)Cl)CO

InChI

InChI=1S/C23H25ClN2O4/c1-2-3-8-21-25(15-27)14-20(24)26(21)13-16-9-11-17(12-10-16)22(28)18-6-4-5-7-19(18)23(29)30/h4-7,9-12,14,21,27H,2-3,8,13,15H2,1H3,(H,29,30)