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

Systemtic Name: 2-[4-[[4,5-bis(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4,5-bis(hydroxymethyl)-2-propyl-imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[4,5-bis(hydroxymethyl)-2-propyl-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4,5-bis(hydroxymethyl)-2-propylimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4,5-dimethylol-2-propyl-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)CO

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CO)CO

InChI

InChI=1S/C22H24N2O4/c1-2-5-21-23-19(13-25)20(14-26)24(21)12-15-8-10-16(11-9-15)17-6-3-4-7-18(17)22(27)28/h3-4,6-11,25-26H,2,5,12-14H2,1H3,(H,27,28)