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

Systemtic Name: 3-[[5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[2-(2-adamantyl)ethyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C29H37N3O3 MolecularWeight: 475.62238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)CCC3C4CC5CC(C4)CC3C5)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)CCC3C4CC5CC(C4)CC3C5)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C29H37N3O3/c33-28(30-23-8-4-7-20(16-23)29(34)35)26-25(31-27(32-26)19-5-2-1-3-6-19)10-9-24-21-12-17-11-18(14-21)15-22(24)13-17/h4,7-8,16-19,21-22,24H,1-3,5-6,9-15H2,(H,30,33)(H,31,32)(H,34,35)