2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid 2-phthalimidoethyl ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H21NO5/c1-14-7-8-16(13-15(14)2)19(24)9-10-20(25)28-12-11-23-21(26)17-5-3-4-6-18(17)22(23)27/h3-8,13H,9-12H2,1-2H3