4-[5-[3-(1-adamantyl)-4-oxidanyl-phenyl]-4,5-dihydro-1,2-oxazol-3-yl]benzoic acid

Systemtic Name: 4-[5-[3-(1-adamantyl)-4-oxidanyl-phenyl]-4,5-dihydro-1,2-oxazol-3-yl]benzoic acid Openeye Name: 4-[5-[3-(1-adamantyl)-4-hydroxy-phenyl]-4,5-dihydroisoxazol-3-yl]benzoic acid CAS Name: 4-[5-[3-(1-adamantyl)-4-hydroxyphenyl]-4,5-dihydroisoxazol-3-yl]benzoic acid IUPAC Name: 4-[5-[3-(1-adamantyl)-4-hydroxyphenyl]-4,5-dihydro-1,2-oxazol-3-yl]benzoic acid Traditional Name: 4-[5-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-isoxazolin-3-yl]benzoic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5CC(=NO5)C6=CC=C(C=C6)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5CC(=NO5)C6=CC=C(C=C6)C(=O)O)O

InChI

InChI=1S/C26H27NO4/c28-23-6-5-20(10-21(23)26-12-15-7-16(13-26)9-17(8-15)14-26)24-11-22(27-31-24)18-1-3-19(4-2-18)25(29)30/h1-6,10,15-17,24,28H,7-9,11-14H2,(H,29,30)