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

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: (2-acetyl-4-methyl-phenyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid (2-acetyl-4-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid (2-acetyl-4-methyl-phenyl) ester Formula: C21H19NO5 MolecularWeight: 365.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)C(=O)C

InChI

InChI=1S/C21H19NO5/c1-13-9-10-18(17(12-13)14(2)23)27-19(24)8-5-11-22-20(25)15-6-3-4-7-16(15)21(22)26/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3