2-[5-[3-(2,6-diethylphenyl)phenoxy]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[3-(2,6-diethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[3-(2,6-diethylphenyl)phenoxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[3-(2,6-diethylphenyl)phenoxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[3-(2,6-diethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[3-(2,6-diethylphenyl)phenoxy]pentyl]isoindoline-1,3-quinone Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=CC(=CC=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=CC(=CC=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H31NO3/c1-3-21-12-10-13-22(4-2)27(21)23-14-11-15-24(20-23)33-19-9-5-8-18-30-28(31)25-16-6-7-17-26(25)29(30)32/h6-7,10-17,20H,3-5,8-9,18-19H2,1-2H3