4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]isoindole-1,3-dione

Systemtic Name: 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]isoindole-1,3-dione Openeye Name: 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]isoindoline-1,3-dione CAS Name: 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]isoindole-1,3-dione IUPAC Name: 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethylamino]ethyl]isoindole-1,3-dione Traditional Name: 4-[2-[[(E)-6,6-dimethylhept-2-en-4-ynyl]-ethyl-amino]ethyl]isoindoline-1,3-quinone Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=CC2=C1C(=O)NC2=O)CC=CC#CC(C)(C)C

Isomeric SMILES

CCN(CCC1=CC=CC2=C1C(=O)NC2=O)C/C=C/C#CC(C)(C)C

InChI

InChI=1S/C21H26N2O2/c1-5-23(14-8-6-7-13-21(2,3)4)15-12-16-10-9-11-17-18(16)20(25)22-19(17)24/h6,8-11H,5,12,14-15H2,1-4H3,(H,22,24,25)/b8-6+