8-[5-(1-adamantylmethoxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]octanoic acid

Systemtic Name: 8-[5-(1-adamantylmethoxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]octanoic acid Openeye Name: 8-[5-(1-adamantylmethoxycarbonyl)-1,3-dioxo-isoindolin-2-yl]octanoic acid CAS Name: 8-[5-[1-adamantylmethoxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]octanoic acid IUPAC Name: 8-[5-(1-adamantylmethoxycarbonyl)-1,3-dioxoisoindol-2-yl]octanoic acid Traditional Name: 8-[5-(1-adamantylmethoxycarbonyl)-1,3-diketo-isoindolin-2-yl]caprylic acid Formula: C28H35NO6 MolecularWeight: 481.5806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCCCCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCCCCCC(=O)O

InChI

InChI=1S/C28H35NO6/c30-24(31)6-4-2-1-3-5-9-29-25(32)22-8-7-21(13-23(22)26(29)33)27(34)35-17-28-14-18-10-19(15-28)12-20(11-18)16-28/h7-8,13,18-20H,1-6,9-12,14-17H2,(H,30,31)