5-(1-adamantyloxymethyl)-2-[2,6-bis(chloranyl)phenyl]-1H-imidazole-4-carboxylic acid

Systemtic Name: 5-(1-adamantyloxymethyl)-2-[2,6-bis(chloranyl)phenyl]-1H-imidazole-4-carboxylic acid Openeye Name: 5-(1-adamantyloxymethyl)-2-(2,6-dichlorophenyl)-1H-imidazole-4-carboxylic acid CAS Name: 5-(1-adamantyloxymethyl)-2-(2,6-dichlorophenyl)-1H-imidazole-4-carboxylic acid IUPAC Name: 5-(1-adamantyloxymethyl)-2-(2,6-dichlorophenyl)-1H-imidazole-4-carboxylic acid Traditional Name: 5-(1-adamantyloxymethyl)-2-(2,6-dichlorophenyl)-1H-imidazole-4-carboxylic acid Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O3/c22-14-2-1-3-15(23)17(14)19-24-16(18(25-19)20(26)27)10-28-21-7-11-4-12(8-21)6-13(5-11)9-21/h1-3,11-13H,4-10H2,(H,24,25)(H,26,27)