2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazol-4-yl]-1,3-benzoxazole-5-carboxylic acid

Systemtic Name: 2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)imidazol-4-yl]-1,3-benzoxazole-5-carboxylic acid Openeye Name: 2-[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazol-4-yl]-1,3-benzoxazole-5-carboxylic acid CAS Name: 2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1-(phenylmethyl)-4-imidazolyl]-1,3-benzoxazole-5-carboxylic acid IUPAC Name: 2-[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexylimidazol-4-yl]-1,3-benzoxazole-5-carboxylic acid Traditional Name: 2-[5-(1-adamantyloxymethyl)-1-benzyl-2-cyclohexyl-imidazol-4-yl]-1,3-benzoxazole-5-carboxylic acid Formula: C35H39N3O4 MolecularWeight: 565.70186

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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(O7)C=CC(=C8)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2CC3=CC=CC=C3)COC45CC6CC(C4)CC(C6)C5)C7=NC8=C(O7)C=CC(=C8)C(=O)O

InChI

InChI=1S/C35H39N3O4/c39-34(40)27-11-12-30-28(16-27)36-33(42-30)31-29(21-41-35-17-23-13-24(18-35)15-25(14-23)19-35)38(20-22-7-3-1-4-8-22)32(37-31)26-9-5-2-6-10-26/h1,3-4,7-8,11-12,16,23-26H,2,5-6,9-10,13-15,17-21H2,(H,39,40)