(4-bromanyl-3-methyl-phenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (4-bromanyl-3-methyl-phenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (4-bromo-3-methyl-phenyl) 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid (4-bromo-3-methylphenyl) ester IUPAC Name: (4-bromo-3-methylphenyl) 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic 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)CCCCCN2C(=O)C3=CC=CC=C3C2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)Br

InChI

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