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

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

CC(CC1=C(N=C(N1)C2CCCCC2)C(=O)NC3=CC=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(CC1=C(N=C(N1)C2CCCCC2)C(=O)NC3=CC=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H39N3O3/c1-18(30-15-19-11-20(16-30)13-21(12-19)17-30)10-25-26(33-27(32-25)22-6-3-2-4-7-22)28(34)31-24-9-5-8-23(14-24)29(35)36/h5,8-9,14,18-22H,2-4,6-7,10-13,15-17H2,1H3,(H,31,34)(H,32,33)(H,35,36)