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

Systemtic Name: 8-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]octanoic acid Openeye Name: 8-[5-(1-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]octanoic acid CAS Name: 8-[5-[1-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]octanoic acid IUPAC Name: 8-[5-(1-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]octanoic acid Traditional Name: 8-[5-(1-adamantyloxycarbonyl)-1,3-diketo-isoindolin-2-yl]caprylic acid Formula: C27H33NO6 MolecularWeight: 467.55402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO6/c29-23(30)6-4-2-1-3-5-9-28-24(31)21-8-7-20(13-22(21)25(28)32)26(33)34-27-14-17-10-18(15-27)12-19(11-17)16-27/h7-8,13,17-19H,1-6,9-12,14-16H2,(H,29,30)