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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-propyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1)CCC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

CCCC1=NC(=C(N1)CCC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C26H33N3O3/c1-2-4-22-28-21(7-8-26-13-16-9-17(14-26)11-18(10-16)15-26)23(29-22)24(30)27-20-6-3-5-19(12-20)25(31)32/h3,5-6,12,16-18H,2,4,7-11,13-15H2,1H3,(H,27,30)(H,28,29)(H,31,32)