2-methyl-5-[2-[4-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[2-[4-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione Openeye Name: 2-methyl-5-[1-methyl-1-[4-(2-phenylethynyl)phenyl]ethyl]isoindoline-1,3-dione CAS Name: 2-methyl-5-[2-[4-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[2-[4-(2-phenylethynyl)phenyl]propan-2-yl]isoindole-1,3-dione Traditional Name: 2-methyl-5-[1-methyl-1-[4-(2-phenylethynyl)phenyl]ethyl]isoindoline-1,3-quinone Formula: C26H21NO2 MolecularWeight: 379.45044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)N(C4=O)C

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C#CC2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)N(C4=O)C

InChI

InChI=1S/C26H21NO2/c1-26(2,21-15-16-22-23(17-21)25(29)27(3)24(22)28)20-13-11-19(12-14-20)10-9-18-7-5-4-6-8-18/h4-8,11-17H,1-3H3