4-[[2-butyl-5-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-5-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-(2-benzyl-3-hydroxy-3-oxo-propyl)-2-butyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-5-[3-hydroxy-3-oxo-2-(phenylmethyl)propyl]-1,2-dihydroimidazol-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-(2-benzyl-3-hydroxy-3-oxopropyl)-2-butyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-(2-benzyl-3-hydroxy-3-keto-propyl)-2-butyl-4-imidazolin-1-yl]methyl]benzoic acid Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1NC(=CN1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1NC(=CN1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O4/c1-2-3-9-23-26-22(15-21(25(30)31)14-18-7-5-4-6-8-18)17-27(23)16-19-10-12-20(13-11-19)24(28)29/h4-8,10-13,17,21,23,26H,2-3,9,14-16H2,1H3,(H,28,29)(H,30,31)