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

Systemtic Name: 4-[5-(2-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid Openeye Name: 4-[5-(2-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]butanoic acid CAS Name: 4-[5-[2-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]butanoic acid IUPAC Name: 4-[5-(2-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]butanoic acid Traditional Name: 4-[5-(2-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)C3OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CCCC(=O)O

InChI

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