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

Systemtic Name: 3-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 3-[4-[(2-butyl-4-chloro-5-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-2-3-7-20-24-21(23)19(14-26)25(20)13-15-8-10-16(11-9-15)17-5-4-6-18(12-17)22(27)28/h4-6,8-12,26H,2-3,7,13-14H2,1H3,(H,27,28)