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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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