3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-(4-methylphenyl)propanoate

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-(4-methylphenyl)propanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)propanoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3-(4-methylphenyl)propanoate Traditional Name: 3-(p-tolyl)propionic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

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