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

Systemtic Name: (4-bromanyl-3-methyl-phenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (4-bromo-3-methyl-phenyl) 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid (4-bromo-3-methylphenyl) ester IUPAC Name: (4-bromo-3-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid (4-bromo-3-methyl-phenyl) ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O)Br

InChI

InChI=1S/C20H18BrNO4/c1-11(2)17(20(25)26-13-8-9-16(21)12(3)10-13)22-18(23)14-6-4-5-7-15(14)19(22)24/h4-11,17H,1-3H3