2-[2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 2-[2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 2-[2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]thiazol-4-yl]benzoic acid CAS Name: 2-[2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-4-thiazolyl]benzoic acid IUPAC Name: 2-[2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 2-[2-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]thiazol-4-yl]benzoic acid Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C6=NC(=CS6)C7=CC=CC=C7C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C6=NC(=CS6)C7=CC=CC=C7C(=O)O

InChI

InChI=1S/C30H35N3O3S/c34-29(35)23-9-5-4-8-22(23)25-17-37-28(32-25)26-24(31-27(33-26)21-6-2-1-3-7-21)16-36-30-13-18-10-19(14-30)12-20(11-18)15-30/h4-5,8-9,17-21H,1-3,6-7,10-16H2,(H,31,33)(H,34,35)