5-[2-(1-adamantyl)ethyl]-2-(2-methylpyridin-3-yl)-1H-imidazole-4-carboxylic acid

Systemtic Name: 5-[2-(1-adamantyl)ethyl]-2-(2-methylpyridin-3-yl)-1H-imidazole-4-carboxylic acid Openeye Name: 5-[2-(1-adamantyl)ethyl]-2-(2-methyl-3-pyridyl)-1H-imidazole-4-carboxylic acid CAS Name: 5-[2-(1-adamantyl)ethyl]-2-(2-methyl-3-pyridinyl)-1H-imidazole-4-carboxylic acid IUPAC Name: 5-[2-(1-adamantyl)ethyl]-2-(2-methylpyridin-3-yl)-1H-imidazole-4-carboxylic acid Traditional Name: 5-[2-(1-adamantyl)ethyl]-2-(2-methyl-3-pyridyl)-1H-imidazole-4-carboxylic acid Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC=N1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C22H27N3O2/c1-13-17(3-2-6-23-13)20-24-18(19(25-20)21(26)27)4-5-22-10-14-7-15(11-22)9-16(8-14)12-22/h2-3,6,14-16H,4-5,7-12H2,1H3,(H,24,25)(H,26,27)