3-oxidanylidenebutan-2-yl 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-[(1,3-dioxoisoindolin-2-yl)methyl]benzoate CAS Name: 4-[(1,3-dioxo-2-isoindolyl)methyl]benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate Traditional Name: 4-(phthalimidomethyl)benzoic acid (2-keto-1-methyl-propyl) ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5/c1-12(22)13(2)26-20(25)15-9-7-14(8-10-15)11-21-18(23)16-5-3-4-6-17(16)19(21)24/h3-10,13H,11H2,1-2H3