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

Systemtic Name: (4-bromanyl-3-methyl-phenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: (4-bromo-3-methyl-phenyl) 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid (4-bromo-3-methylphenyl) ester IUPAC Name: (4-bromo-3-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid (4-bromo-3-methyl-phenyl) ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4/c1-12(2)10-18(21(26)27-14-8-9-17(22)13(3)11-14)23-19(24)15-6-4-5-7-16(15)20(23)25/h4-9,11-12,18H,10H2,1-3H3