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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=C(C=C1)Br)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=C(C=C1)Br)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20BrNO4/c1-13(2)11-18(21(26)27-12-14-7-9-15(22)10-8-14)23-19(24)16-5-3-4-6-17(16)20(23)25/h3-10,13,18H,11-12H2,1-2H3