2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazol-4-yl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazol-4-yl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazol-4-yl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)-4-imidazolyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexylimidazol-4-yl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazol-4-yl]-1H-benzimidazole-4-carboxylic acid Formula: C35H40N4O3 MolecularWeight: 564.7171

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2CC3=CC=CC=C3)COC45CC6CC(C4)CC(C6)C5)C7=NC8=C(C=CC=C8N7)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2CC3=CC=CC=C3)COC45CC6CC(C4)CC(C6)C5)C7=NC8=C(C=CC=C8N7)C(=O)O

InChI

InChI=1S/C35H40N4O3/c40-34(41)27-12-7-13-28-30(27)37-32(36-28)31-29(21-42-35-17-23-14-24(18-35)16-25(15-23)19-35)39(20-22-8-3-1-4-9-22)33(38-31)26-10-5-2-6-11-26/h1,3-4,7-9,12-13,23-26H,2,5-6,10-11,14-21H2,(H,36,37)(H,40,41)