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

Systemtic Name: 3-[5-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-2,5-dihydro-1,3-oxazol-4-yl]benzoic acid Openeye Name: 3-[5-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-2,5-dihydrooxazol-4-yl]benzoic acid CAS Name: 3-[5-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-2,5-dihydrooxazol-4-yl]benzoic acid IUPAC Name: 3-[5-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-2,5-dihydro-1,3-oxazol-4-yl]benzoic acid Traditional Name: 3-[5-[5-(1-adamantyloxymethyl)-2-cyclohexyl-1H-imidazol-4-yl]-3-oxazolin-4-yl]benzoic acid Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C6C(=NCO6)C7=CC(=CC=C7)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C6C(=NCO6)C7=CC(=CC=C7)C(=O)O

InChI

InChI=1S/C30H37N3O4/c34-29(35)23-8-4-7-22(12-23)25-27(36-17-31-25)26-24(32-28(33-26)21-5-2-1-3-6-21)16-37-30-13-18-9-19(14-30)11-20(10-18)15-30/h4,7-8,12,18-21,27H,1-3,5-6,9-11,13-17H2,(H,32,33)(H,34,35)