5-(1-adamantyl)-2-(3-methoxypropyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(3-methoxypropyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(3-methoxypropyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(3-methoxypropyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(3-methoxypropyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(3-methoxypropyl)isoindoline-1,3-quinone Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27NO3/c1-26-6-2-5-23-20(24)18-4-3-17(10-19(18)21(23)25)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-4,10,14-16H,2,5-9,11-13H2,1H3