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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC(=C4)OCN5C(=O)C6=CC=CC=C6C5=O)OC

Isomeric SMILES

CCOC(=C1C2CC3CC(C2)CC1C3)C4=CC(=CC(=C4)OCN5C(=O)C6=CC=CC=C6C5=O)OC

InChI

InChI=1S/C29H31NO5/c1-3-34-27(26-19-9-17-8-18(11-19)12-20(26)10-17)21-13-22(33-2)15-23(14-21)35-16-30-28(31)24-6-4-5-7-25(24)29(30)32/h4-7,13-15,17-20H,3,8-12,16H2,1-2H3