[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19NO5/c1-12-8-9-13(2)17(10-12)18(23)11-27-21(26)14(3)22-19(24)15-6-4-5-7-16(15)20(22)25/h4-10,14H,11H2,1-3H3