4-[[2-(1-adamantyl)-4-chloranyl-1-oxidanylidene-3H-isoindol-5-yl]oxy]butanoic acid

Systemtic Name: 4-[[2-(1-adamantyl)-4-chloranyl-1-oxidanylidene-3H-isoindol-5-yl]oxy]butanoic acid Openeye Name: 4-[2-(1-adamantyl)-4-chloro-1-oxo-isoindolin-5-yl]oxybutanoic acid CAS Name: 4-[[2-(1-adamantyl)-4-chloro-1-oxo-3H-isoindol-5-yl]oxy]butanoic acid IUPAC Name: 4-[[2-(1-adamantyl)-4-chloro-1-oxo-3H-isoindol-5-yl]oxy]butanoic acid Traditional Name: 4-[2-(1-adamantyl)-4-chloro-1-keto-isoindolin-5-yl]oxybutyric acid Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4CC5=C(C4=O)C=CC(=C5Cl)OCCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4CC5=C(C4=O)C=CC(=C5Cl)OCCCC(=O)O

InChI

InChI=1S/C22H26ClNO4/c23-20-17-12-24(22-9-13-6-14(10-22)8-15(7-13)11-22)21(27)16(17)3-4-18(20)28-5-1-2-19(25)26/h3-4,13-15H,1-2,5-12H2,(H,25,26)