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

Systemtic Name: 2-[4-[[4-chloranyl-5-(hydroxymethyl)-2-pentyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-chloro-5-(hydroxymethyl)-2-pentyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4-chloro-5-(hydroxymethyl)-2-pentyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-chloro-5-(hydroxymethyl)-2-pentylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-amyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H25ClN2O3 MolecularWeight: 412.9092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)Cl

Isomeric SMILES

CCCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)Cl

InChI

InChI=1S/C23H25ClN2O3/c1-2-3-4-9-21-25-22(24)20(15-27)26(21)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23(28)29/h5-8,10-13,27H,2-4,9,14-15H2,1H3,(H,28,29)