2-[3-[5-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanyl-phenyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[5-[4-(4-hydroxyphenyl)hexan-3-yl]-2-oxidanyl-phenyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[5-[1-ethyl-2-(4-hydroxyphenyl)butyl]-2-hydroxy-phenyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[2-hydroxy-5-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[2-hydroxy-5-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[5-[1-ethyl-2-(4-hydroxyphenyl)butyl]-2-hydroxy-phenyl]propyl]isoindoline-1,3-quinone Formula: C29H31NO4 MolecularWeight: 457.56074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2)O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C1=CC=C(C=C1)O)C(CC)C2=CC(=C(C=C2)O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C29H31NO4/c1-3-23(19-11-14-22(31)15-12-19)24(4-2)20-13-16-27(32)21(18-20)8-7-17-30-28(33)25-9-5-6-10-26(25)29(30)34/h5-6,9-16,18,23-24,31-32H,3-4,7-8,17H2,1-2H3