(2,4,6-trimethylphenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: (2,4,6-trimethylphenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2,4,6-trimethylphenyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid mesityl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

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