5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carboxylic acid

Systemtic Name: 5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carboxylic acid Openeye Name: 5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carboxylic acid CAS Name: 5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carboxylic acid IUPAC Name: 5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carboxylic acid Traditional Name: 5-(1-adamantyloxymethyl)-2-(2-chlorophenyl)-1H-imidazole-4-carboxylic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCC4=C(N=C(N4)C5=CC=CC=C5Cl)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCC4=C(N=C(N4)C5=CC=CC=C5Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O3/c22-16-4-2-1-3-15(16)19-23-17(18(24-19)20(25)26)11-27-21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14H,5-11H2,(H,23,24)(H,25,26)