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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-(4-tert-butylphenyl)propanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)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-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C24H26BrNO4 MolecularWeight: 472.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO4/c1-24(2,3)17-8-5-16(6-9-17)7-12-21(27)30-14-4-13-26-22(28)19-11-10-18(25)15-20(19)23(26)29/h5-6,8-11,15H,4,7,12-14H2,1-3H3