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

Systemtic Name: 3-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 3-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 3-[4-[[2-butyl-5-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 3-[4-[[2-butyl-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 3-[4-[(2-butyl-5-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-2-3-7-21-23-13-20(15-25)24(21)14-16-8-10-17(11-9-16)18-5-4-6-19(12-18)22(26)27/h4-6,8-13,25H,2-3,7,14-15H2,1H3,(H,26,27)