5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazole-4-carboxylic acid

Systemtic Name: 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazole-4-carboxylic acid Openeye Name: 5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazole-4-carboxylic acid CAS Name: 5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)-4-imidazolecarboxylic acid IUPAC Name: 5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexylimidazole-4-carboxylic acid Traditional Name: 5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazole-4-carboxylic acid Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2CC3=CC=CC=C3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2CC3=CC=CC=C3)COC45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C28H36N2O3/c31-27(32)25-24(18-33-28-14-20-11-21(15-28)13-22(12-20)16-28)30(17-19-7-3-1-4-8-19)26(29-25)23-9-5-2-6-10-23/h1,3-4,7-8,20-23H,2,5-6,9-18H2,(H,31,32)