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

Systemtic Name: 2-[5-[3-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[3-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[3-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[3-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[3-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindoline-1,3-quinone Formula: C31H35NO3 MolecularWeight: 469.6145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1CC)CC)C2=CC(=CC=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC(=CC(=C1CC)CC)C2=CC(=CC=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C31H35NO3/c1-4-22-19-25(20-23(5-2)27(22)6-3)24-13-12-14-26(21-24)35-18-11-7-10-17-32-30(33)28-15-8-9-16-29(28)31(32)34/h8-9,12-16,19-21H,4-7,10-11,17-18H2,1-3H3