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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=CN4)C(=O)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCC4=C(N=CN4)C(=O)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C23H27N3O3/c27-21(26-18-3-1-2-17(9-18)22(28)29)20-19(24-13-25-20)4-5-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-3,9,13-16H,4-8,10-12H2,(H,24,25)(H,26,27)(H,28,29)