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

Systemtic Name: 2-[4-[[2-butyl-4,5-bis(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-4,5-bis(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-4,5-bis(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-4,5-bis(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4,5-dimethylol-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)CO

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)CO

InChI

InChI=1S/C23H26N2O4/c1-2-3-8-22-24-20(14-26)21(15-27)25(22)13-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23(28)29/h4-7,9-12,26-27H,2-3,8,13-15H2,1H3,(H,28,29)