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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C28H35N3O3/c32-26(29-22-7-3-6-21(13-22)27(33)34)24-23(30-25(31-24)20-4-1-2-5-20)8-9-28-14-17-10-18(15-28)12-19(11-17)16-28/h3,6-7,13,17-20H,1-2,4-5,8-12,14-16H2,(H,29,32)(H,30,31)(H,33,34)