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

Systemtic Name: 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid 3-(5-bromo-1,3-dioxo-2-isoindolyl)propyl ester IUPAC Name: 3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid 3-(5-bromo-1,3-diketo-isoindolin-2-yl)propyl ester Formula: C22H22BrNO6 MolecularWeight: 476.31718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)OC

InChI

InChI=1S/C22H22BrNO6/c1-28-18-8-4-14(12-19(18)29-2)5-9-20(25)30-11-3-10-24-21(26)16-7-6-15(23)13-17(16)22(24)27/h4,6-8,12-13H,3,5,9-11H2,1-2H3