5-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-fluoro-benzoic acid CAS Name: 5-[[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]-2-fluorobenzoic acid IUPAC Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-fluorobenzoic acid Traditional Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]-2-fluoro-benzoic acid Formula: C29H36FN3O3 MolecularWeight: 493.612843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=C(C=C6)F)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC(=C(C=C6)F)C(=O)O

InChI

InChI=1S/C29H36FN3O3/c30-23-7-6-21(13-22(23)28(35)36)31-27(34)25-24(32-26(33-25)20-4-2-1-3-5-20)8-9-29-14-17-10-18(15-29)12-19(11-17)16-29/h6-7,13,17-20H,1-5,8-12,14-16H2,(H,31,34)(H,32,33)(H,35,36)