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

Systemtic Name: 4-[[2-hexyl-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-hexyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid CAS Name: 4-[[2-hexyl-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-hexyl-1,2-dihydroimidazol-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-(2-benzyl-3-hydroxy-3-keto-propyl)-2-hexyl-4-imidazolin-1-yl]methyl]benzoic acid Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1NC(=CN1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCC1NC(=CN1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H34N2O4/c1-2-3-4-8-11-25-28-24(17-23(27(32)33)16-20-9-6-5-7-10-20)19-29(25)18-21-12-14-22(15-13-21)26(30)31/h5-7,9-10,12-15,19,23,25,28H,2-4,8,11,16-18H2,1H3,(H,30,31)(H,32,33)