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

Systemtic Name: (2-methylphenyl)methyl 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: o-tolylmethyl 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)butanoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyric acid (2-methylbenzyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)OCC3=CC=CC=C3C

InChI

InChI=1S/C21H21NO4/c1-14-9-10-17-18(12-14)21(25)22(20(17)24)11-5-8-19(23)26-13-16-7-4-3-6-15(16)2/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3