[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)OCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C22H25NO6/c24-17(15-1-2-18-16(4-15)23-19(25)11-28-18)10-29-20(26)9-21-5-13-3-14(6-21)8-22(27,7-13)12-21/h1-2,4,13-14,27H,3,5-12H2,(H,23,25)/t13-,14+,21?,22?