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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4/c1-13(2)18(21(25)26-12-15-8-6-7-14(3)11-15)22-19(23)16-9-4-5-10-17(16)20(22)24/h4-11,13,18H,12H2,1-3H3