(3,4-dimethylphenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: (3,4-dimethylphenyl) 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: (3,4-dimethylphenyl) 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic acid (3,4-dimethylphenyl) ester Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H23NO4/c1-15-11-12-17(14-16(15)2)27-20(24)10-4-3-7-13-23-21(25)18-8-5-6-9-19(18)22(23)26/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3