5-[2-(1-adamantyl)ethyl]-2-(4-fluoranyl-2-methyl-phenyl)-1H-imidazole-4-carboxylic acid

Systemtic Name: 5-[2-(1-adamantyl)ethyl]-2-(4-fluoranyl-2-methyl-phenyl)-1H-imidazole-4-carboxylic acid Openeye Name: 5-[2-(1-adamantyl)ethyl]-2-(4-fluoro-2-methyl-phenyl)-1H-imidazole-4-carboxylic acid CAS Name: 5-[2-(1-adamantyl)ethyl]-2-(4-fluoro-2-methylphenyl)-1H-imidazole-4-carboxylic acid IUPAC Name: 5-[2-(1-adamantyl)ethyl]-2-(4-fluoro-2-methylphenyl)-1H-imidazole-4-carboxylic acid Traditional Name: 5-[2-(1-adamantyl)ethyl]-2-(4-fluoro-2-methyl-phenyl)-1H-imidazole-4-carboxylic acid Formula: C23H27FN2O2 MolecularWeight: 382.471083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C23H27FN2O2/c1-13-6-17(24)2-3-18(13)21-25-19(20(26-21)22(27)28)4-5-23-10-14-7-15(11-23)9-16(8-14)12-23/h2-3,6,14-16H,4-5,7-12H2,1H3,(H,25,26)(H,27,28)