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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)C

InChI

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