2-[5-[3-ethyl-4-(2-ethylphenyl)phenoxy]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[3-ethyl-4-(2-ethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[3-ethyl-4-(2-ethylphenyl)phenoxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[3-ethyl-4-(2-ethylphenyl)phenoxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[3-ethyl-4-(2-ethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[3-ethyl-4-(2-ethylphenyl)phenoxy]pentyl]isoindoline-1,3-quinone Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(C=C(C=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O)CC

Isomeric SMILES

CCC1=CC=CC=C1C2=C(C=C(C=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O)CC

InChI

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