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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1C2CCCCC2)C(=O)NC3=CC=CC(=C3)C(=O)O)CCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1C(=C(N=C1C2CCCCC2)C(=O)NC3=CC=CC(=C3)C(=O)O)CCC45CC6CC(C4)CC(C6)C5

InChI

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