4-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid

Systemtic Name: 4-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 4-[5-(1-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]butanoic acid CAS Name: 4-[5-[1-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]butanoic acid IUPAC Name: 4-[5-(1-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]butanoic acid Traditional Name: 4-[5-(1-adamantyloxycarbonyl)-1,3-diketo-isoindolin-2-yl]butyric acid Formula: C23H25NO6 MolecularWeight: 411.4477

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6/c25-19(26)2-1-5-24-20(27)17-4-3-16(9-18(17)21(24)28)22(29)30-23-10-13-6-14(11-23)8-15(7-13)12-23/h3-4,9,13-15H,1-2,5-8,10-12H2,(H,25,26)