(4-propanoylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: (4-propanoylphenyl) 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (4-propanoylphenyl) 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid (4-propionylphenyl) ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO5/c1-4-18(24)14-9-11-15(12-10-14)28-22(27)19(13(2)3)23-20(25)16-7-5-6-8-17(16)21(23)26/h5-13,19H,4H2,1-3H3