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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyridin-3-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(3-pyridyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-(3-pyridinyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-pyridin-3-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(3-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=CN=CC=C5)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

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

InChI

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