2-[4-[[5-methanoyl-2-propyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[5-methanoyl-2-propyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[5-formyl-2-propyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[5-formyl-2-propyl-4-(trifluoromethyl)-1-imidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[5-formyl-2-propyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[5-formyl-2-propyl-4-(trifluoromethyl)imidazol-1-yl]methyl]phenyl]benzoic acid Formula: C22H19F3N2O3 MolecularWeight: 416.39307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19F3N2O3/c1-2-5-19-26-20(22(23,24)25)18(13-28)27(19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21(29)30/h3-4,6-11,13H,2,5,12H2,1H3,(H,29,30)