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

Systemtic Name: 4-[[5-[3-oxidanyl-3-oxidanylidene-2-(phenylmethyl)propyl]-2-propyl-imidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[5-(2-benzyl-3-hydroxy-3-oxo-propyl)-2-propyl-imidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[5-[3-hydroxy-3-oxo-2-(phenylmethyl)propyl]-2-propyl-1-imidazolyl]methyl]benzoic acid IUPAC Name: 4-[[5-(2-benzyl-3-hydroxy-3-oxopropyl)-2-propylimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[5-(2-benzyl-3-hydroxy-3-keto-propyl)-2-propyl-imidazol-1-yl]methyl]benzoic acid Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H26N2O4/c1-2-6-22-25-15-21(14-20(24(29)30)13-17-7-4-3-5-8-17)26(22)16-18-9-11-19(12-10-18)23(27)28/h3-5,7-12,15,20H,2,6,13-14,16H2,1H3,(H,27,28)(H,29,30)