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

Systemtic Name: 2-[4-[[2-butyl-3-chloranyl-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-3-chloro-5-(hydroxymethyl)-2H-imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-3-chloro-5-methylol-4-imidazolin-1-yl)methyl]phenyl]benzoic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-2-3-8-21-24(18(15-26)14-25(21)23)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)22(27)28/h4-7,9-12,14,21,26H,2-3,8,13,15H2,1H3,(H,27,28)