[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] heptanoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] heptanoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] heptanoate Traditional Name: enanthic acid (3-phthalimidophenyl) ester Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCC(=O)OC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4/c1-2-3-4-5-13-19(23)26-16-10-8-9-15(14-16)22-20(24)17-11-6-7-12-18(17)21(22)25/h6-12,14H,2-5,13H2,1H3