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

Systemtic Name: 2-[5-[4-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[4-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[4-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-(3,4,5-triethylphenyl)phenoxy]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[4-(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=C(C=C2)OCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

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

InChI

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