5-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid

Systemtic Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazol-4-yl]carbonylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid CAS Name: 5-[[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazol-4-yl]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carbonyl]amino]-2-methylbenzoic acid Traditional Name: 5-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carbonyl]amino]-2-methyl-benzoic acid Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C(C)(C)C)CCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(NC(=N2)C(C)(C)C)CCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C28H37N3O3/c1-16-5-6-20(12-21(16)25(33)34)29-24(32)23-22(30-26(31-23)27(2,3)4)7-8-28-13-17-9-18(14-28)11-19(10-17)15-28/h5-6,12,17-19H,7-11,13-15H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)