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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(NC(=N2)C3CCCCC3)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(NC(=N2)C3CCCCC3)CCC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

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