2-[3-[3-[2-adamantylidene(methoxy)methyl]-5-oxidanyl-phenoxy]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[3-[2-adamantylidene(methoxy)methyl]-5-oxidanyl-phenoxy]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-[2-adamantylidene(methoxy)methyl]-5-hydroxy-phenoxy]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-[2-adamantylidene(methoxy)methyl]-5-hydroxyphenoxy]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-[2-adamantylidene(methoxy)methyl]-5-hydroxyphenoxy]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-[2-adamantylidene(methoxy)methyl]-5-hydroxy-phenoxy]propyl]isoindoline-1,3-quinone Formula: C29H31NO5 MolecularWeight: 473.56014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC(=C4)OCCCN5C(=O)C6=CC=CC=C6C5=O)O

Isomeric SMILES

COC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC(=C4)OCCCN5C(=O)C6=CC=CC=C6C5=O)O

InChI

InChI=1S/C29H31NO5/c1-34-27(26-19-10-17-9-18(12-19)13-20(26)11-17)21-14-22(31)16-23(15-21)35-8-4-7-30-28(32)24-5-2-3-6-25(24)29(30)33/h2-3,5-6,14-20,31H,4,7-13H2,1H3