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

Systemtic Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2-piperidyl)-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(1-adamantyl)ethyl]-2-(2-piperidinyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-piperidin-2-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(1-adamantyl)ethyl]-2-(2-piperidyl)-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCNC(C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C28H36N4O3/c33-26(30-21-5-3-4-20(13-21)27(34)35)24-22(31-25(32-24)23-6-1-2-9-29-23)7-8-28-14-17-10-18(15-28)12-19(11-17)16-28/h3-5,13,17-19,23,29H,1-2,6-12,14-16H2,(H,30,33)(H,31,32)(H,34,35)