2-[4-(4-methylphenoxy)phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione

Systemtic Name: 2-[4-(4-methylphenoxy)phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione Openeye Name: 2-[4-(4-methylphenoxy)phenyl]-5-(2-phenylethynyl)isoindoline-1,3-dione CAS Name: 2-[4-(4-methylphenoxy)phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione IUPAC Name: 2-[4-(4-methylphenoxy)phenyl]-5-(2-phenylethynyl)isoindole-1,3-dione Traditional Name: 2-[4-(4-methylphenoxy)phenyl]-5-(2-phenylethynyl)isoindoline-1,3-quinone Formula: C29H19NO3 MolecularWeight: 429.46606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C29H19NO3/c1-20-7-14-24(15-8-20)33-25-16-12-23(13-17-25)30-28(31)26-18-11-22(19-27(26)29(30)32)10-9-21-5-3-2-4-6-21/h2-8,11-19H,1H3