3-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-tert-butyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(N1)CCC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=C(N1)CCC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C27H35N3O3/c1-26(2,3)25-29-21(7-8-27-13-16-9-17(14-27)11-18(10-16)15-27)22(30-25)23(31)28-20-6-4-5-19(12-20)24(32)33/h4-6,12,16-18H,7-11,13-15H2,1-3H3,(H,28,31)(H,29,30)(H,32,33)