4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-oxidanyl-1-adamantyl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-oxidanyl-1-adamantyl)butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-(3-hydroxy-1-adamantyl)butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-(3-hydroxy-1-adamantyl)butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-(3-hydroxy-1-adamantyl)butanamide Traditional Name: N-(3-hydroxy-1-adamantyl)-4-phthalimido-butyramide Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)NC(=O)CCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H26N2O4/c25-18(23-21-9-14-8-15(10-21)12-22(28,11-14)13-21)6-3-7-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-2,4-5,14-15,28H,3,6-13H2,(H,23,25)