3-[[5-(2-cycloheptylethyl)-2-(2-fluorophenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-(2-cycloheptylethyl)-2-(2-fluorophenyl)-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(2-cycloheptylethyl)-2-(2-fluorophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(2-cycloheptylethyl)-2-(2-fluorophenyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(2-cycloheptylethyl)-2-(2-fluorophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(2-cycloheptylethyl)-2-(2-fluorophenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C26H28FN3O3 MolecularWeight: 449.517223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CCC2=C(N=C(N2)C3=CC=CC=C3F)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CCCC(CC1)CCC2=C(N=C(N2)C3=CC=CC=C3F)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H28FN3O3/c27-21-13-6-5-12-20(21)24-29-22(15-14-17-8-3-1-2-4-9-17)23(30-24)25(31)28-19-11-7-10-18(16-19)26(32)33/h5-7,10-13,16-17H,1-4,8-9,14-15H2,(H,28,31)(H,29,30)(H,32,33)