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

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

CCC(C)C(C(=O)OC1=CC(=C(C=C1)Br)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC(=C(C=C1)Br)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20BrNO4/c1-4-12(2)18(21(26)27-14-9-10-17(22)13(3)11-14)23-19(24)15-7-5-6-8-16(15)20(23)25/h5-12,18H,4H2,1-3H3