3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-3-oxidanyl-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-3-oxidanyl-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-3-hydroxy-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantyloxymethyl)-2-cyclohexyl-3-hydroxy-4-imidazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-3-hydroxyimidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantyloxymethyl)-2-cyclohexyl-3-hydroxy-imidazole-4-carbonyl]amino]benzoic acid Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2O)C(=O)NC3=CC=CC(=C3)C(=O)O)COC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2O)C(=O)NC3=CC=CC(=C3)C(=O)O)COC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H35N3O5/c32-26(29-22-8-4-7-21(12-22)27(33)34)24-23(30-25(31(24)35)20-5-2-1-3-6-20)16-36-28-13-17-9-18(14-28)11-19(10-17)15-28/h4,7-8,12,17-20,35H,1-3,5-6,9-11,13-16H2,(H,29,32)(H,33,34)