2-[5-[2-(1-adamantyl)ethoxycarbonyl]-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(1-adamantyl)ethoxycarbonyl]-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(1-adamantyl)ethoxycarbonyl]-1,3-dioxo-isoindolin-2-yl]acetic acid CAS Name: 2-[5-[2-(1-adamantyl)ethoxy-oxomethyl]-1,3-dioxo-2-isoindolyl]acetic acid IUPAC Name: 2-[5-[2-(1-adamantyl)ethoxycarbonyl]-1,3-dioxoisoindol-2-yl]acetic acid Traditional Name: 2-[5-[2-(1-adamantyl)ethoxycarbonyl]-1,3-diketo-isoindolin-2-yl]acetic acid Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)CC(=O)O

InChI

InChI=1S/C23H25NO6/c25-19(26)12-24-20(27)17-2-1-16(8-18(17)21(24)28)22(29)30-4-3-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-2,8,13-15H,3-7,9-12H2,(H,25,26)