6-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoic acid

Systemtic Name: 6-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoic acid Openeye Name: 6-[5-(1-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]hexanoic acid CAS Name: 6-[5-[1-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]hexanoic acid IUPAC Name: 6-[5-(1-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]hexanoic acid Traditional Name: 6-[5-(1-adamantyloxycarbonyl)-1,3-diketo-isoindolin-2-yl]hexanoic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCCCC(=O)O

InChI

InChI=1S/C25H29NO6/c27-21(28)4-2-1-3-7-26-22(29)19-6-5-18(11-20(19)23(26)30)24(31)32-25-12-15-8-16(13-25)10-17(9-15)14-25/h5-6,11,15-17H,1-4,7-10,12-14H2,(H,27,28)