3-[[5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[5-(1-adamantyloxymethyl)-2-tetrahydropyran-4-yl-1H-imidazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[5-(1-adamantyloxymethyl)-2-(4-oxanyl)-1H-imidazol-4-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(1-adamantyloxymethyl)-2-(oxan-4-yl)-1H-imidazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[5-(1-adamantyloxymethyl)-2-tetrahydropyran-4-yl-1H-imidazole-4-carbonyl]amino]benzoic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

Isomeric SMILES

C1COCCC1C2=NC(=C(N2)COC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

InChI

InChI=1S/C27H33N3O5/c31-25(28-21-3-1-2-20(11-21)26(32)33)23-22(29-24(30-23)19-4-6-34-7-5-19)15-35-27-12-16-8-17(13-27)10-18(9-16)14-27/h1-3,11,16-19H,4-10,12-15H2,(H,28,31)(H,29,30)(H,32,33)