5-[2-(1-adamantyl)ethyl]-3-methyl-2-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid

Systemtic Name: 5-[2-(1-adamantyl)ethyl]-3-methyl-2-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid Openeye Name: 5-[2-(1-adamantyl)ethyl]-3-methyl-2-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid CAS Name: 5-[2-(1-adamantyl)ethyl]-3-methyl-2-(2,4,6-trimethylphenyl)-4-imidazolecarboxylic acid IUPAC Name: 5-[2-(1-adamantyl)ethyl]-3-methyl-2-(2,4,6-trimethylphenyl)imidazole-4-carboxylic acid Traditional Name: 5-[2-(1-adamantyl)ethyl]-2-mesityl-3-methyl-imidazole-4-carboxylic acid Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NC(=C(N2C)C(=O)O)CCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NC(=C(N2C)C(=O)O)CCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H34N2O2/c1-15-7-16(2)22(17(3)8-15)24-27-21(23(25(29)30)28(24)4)5-6-26-12-18-9-19(13-26)11-20(10-18)14-26/h7-8,18-20H,5-6,9-14H2,1-4H3,(H,29,30)