phenacyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: phenacyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: phenacyl 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)butanoic acid phenacyl ester IUPAC Name: phenacyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyric acid phenacyl ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO5/c1-14-9-10-16-17(12-14)21(26)22(20(16)25)11-5-8-19(24)27-13-18(23)15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3