(4-methyl-4-oxidanyl-3-oxidanylidene-1-phenoxy-pentan-2-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (4-methyl-4-oxidanyl-3-oxidanylidene-1-phenoxy-pentan-2-yl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [3-hydroxy-3-methyl-2-oxo-1-(phenoxymethyl)butyl] 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid (4-hydroxy-4-methyl-3-oxo-1-phenoxypentan-2-yl) ester IUPAC Name: (4-hydroxy-4-methyl-3-oxo-1-phenoxypentan-2-yl) 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid [3-hydroxy-2-keto-3-methyl-1-(phenoxymethyl)butyl] ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(COC1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)O

Isomeric SMILES

CC(C)(C(=O)C(COC1=CC=CC=C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O)O

InChI

InChI=1S/C22H21NO7/c1-22(2,28)19(25)17(13-29-14-8-4-3-5-9-14)30-18(24)12-23-20(26)15-10-6-7-11-16(15)21(23)27/h3-11,17,28H,12-13H2,1-2H3