2-[3-ethynyl-3-(4-methoxyphenyl)cyclobutyl]isoindole-1,3-dione

Systemtic Name: 2-[3-ethynyl-3-(4-methoxyphenyl)cyclobutyl]isoindole-1,3-dione Openeye Name: 2-[3-ethynyl-3-(4-methoxyphenyl)cyclobutyl]isoindoline-1,3-dione CAS Name: 2-[3-ethynyl-3-(4-methoxyphenyl)cyclobutyl]isoindole-1,3-dione IUPAC Name: 2-[3-ethynyl-3-(4-methoxyphenyl)cyclobutyl]isoindole-1,3-dione Traditional Name: 2-[3-ethynyl-3-(4-methoxyphenyl)cyclobutyl]isoindoline-1,3-quinone Formula: C21H17NO3 MolecularWeight: 331.36458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC(C2)N3C(=O)C4=CC=CC=C4C3=O)C#C

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC(C2)N3C(=O)C4=CC=CC=C4C3=O)C#C

InChI

InChI=1S/C21H17NO3/c1-3-21(14-8-10-16(25-2)11-9-14)12-15(13-21)22-19(23)17-6-4-5-7-18(17)20(22)24/h1,4-11,15H,12-13H2,2H3