3-[[2-cyclohexyl-5-[2-(3,5-dimethyl-1-adamantyl)ethyl]-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-cyclohexyl-5-[2-(3,5-dimethyl-1-adamantyl)ethyl]-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-cyclohexyl-5-[2-(3,5-dimethyl-1-adamantyl)ethyl]-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-cyclohexyl-5-[2-(3,5-dimethyl-1-adamantyl)ethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-cyclohexyl-5-[2-(3,5-dimethyl-1-adamantyl)ethyl]-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-cyclohexyl-5-[2-(3,5-dimethyl-1-adamantyl)ethyl]-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C31H41N3O3 MolecularWeight: 503.67554

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CCC4=C(N=C(N4)C5CCCCC5)C(=O)NC6=CC=CC(=C6)C(=O)O)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CCC4=C(N=C(N4)C5CCCCC5)C(=O)NC6=CC=CC(=C6)C(=O)O)C

InChI

InChI=1S/C31H41N3O3/c1-29-14-20-15-30(2,17-29)19-31(16-20,18-29)12-11-24-25(34-26(33-24)21-7-4-3-5-8-21)27(35)32-23-10-6-9-22(13-23)28(36)37/h6,9-10,13,20-21H,3-5,7-8,11-12,14-19H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)