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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyridin-4-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(4-pyridyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-pyridin-4-yl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyridin-4-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(4-pyridyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=C(N4)C5=CC=NC=C5)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=C(N4)C5=CC=NC=C5)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C28H30N4O3/c33-26(30-22-3-1-2-21(13-22)27(34)35)24-23(31-25(32-24)20-5-8-29-9-6-20)4-7-28-14-17-10-18(15-28)12-19(11-17)16-28/h1-3,5-6,8-9,13,17-19H,4,7,10-12,14-16H2,(H,30,33)(H,31,32)(H,34,35)