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

Systemtic Name: 3-[[5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-[3-(1-adamantyl)propyl]-2-cyclohexyl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)CCCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)CCCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C30H39N3O3/c34-28(31-24-9-4-8-23(15-24)29(35)36)26-25(32-27(33-26)22-6-2-1-3-7-22)10-5-11-30-16-19-12-20(17-30)14-21(13-19)18-30/h4,8-9,15,19-22H,1-3,5-7,10-14,16-18H2,(H,31,34)(H,32,33)(H,35,36)