2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(2-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(2-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)propionic acid 2-phthalimidoethyl ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)Br)OC

InChI

InChI=1S/C21H20BrNO6/c1-27-17-11-13(16(22)12-18(17)28-2)7-8-19(24)29-10-9-23-20(25)14-5-3-4-6-15(14)21(23)26/h3-6,11-12H,7-10H2,1-2H3