2-[(4-heptylphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(4-heptylphenyl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-heptylphenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-heptylphenyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-heptylphenyl)methyl]isoindole-1,3-dione Traditional Name: 2-(4-heptylbenzyl)isoindoline-1,3-quinone Formula: C22H25NO2 MolecularWeight: 335.4394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H25NO2/c1-2-3-4-5-6-9-17-12-14-18(15-13-17)16-23-21(24)19-10-7-8-11-20(19)22(23)25/h7-8,10-15H,2-6,9,16H2,1H3