5-(1-adamantyl)-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(1,3-benzodioxol-5-ylmethyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(1,3-benzodioxol-5-ylmethyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-piperonyl-isoindoline-1,3-quinone Formula: C26H25NO4 MolecularWeight: 415.481

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C(=O)N(C5=O)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C26H25NO4/c28-24-20-3-2-19(26-10-16-5-17(11-26)7-18(6-16)12-26)9-21(20)25(29)27(24)13-15-1-4-22-23(8-15)31-14-30-22/h1-4,8-9,16-18H,5-7,10-14H2