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

Systemtic Name: 2-[4-[[5-aminocarbonyl-2-butyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-butyl-5-carbamoyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-butyl-5-carbamoyl-4-(hydroxymethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[2-butyl-5-carbamoyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-5-carbamoyl-4-methylol-imidazol-1-yl)methyl]phenyl]benzoic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-2-3-8-20-25-19(14-27)21(22(24)28)26(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)23(29)30/h4-7,9-12,27H,2-3,8,13-14H2,1H3,(H2,24,28)(H,29,30)