2-tert-butyl-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one

Systemtic Name: 2-tert-butyl-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one Openeye Name: 2-tert-butyl-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one CAS Name: 2-tert-butyl-3-hydroxy-3-(2-phenylethynyl)-1-isoindolone IUPAC Name: 2-tert-butyl-3-hydroxy-3-(2-phenylethynyl)isoindol-1-one Traditional Name: 2-tert-butyl-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=CC=CC=C2C1(C#CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)N1C(=O)C2=CC=CC=C2C1(C#CC3=CC=CC=C3)O

InChI

InChI=1S/C20H19NO2/c1-19(2,3)21-18(22)16-11-7-8-12-17(16)20(21,23)14-13-15-9-5-4-6-10-15/h4-12,23H,1-3H3