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

Systemtic Name: 2-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid Openeye Name: 2-[5-(1-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]acetic acid CAS Name: 2-[5-[1-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]acetic acid IUPAC Name: 2-[5-(1-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]acetic acid Traditional Name: 2-[5-(1-adamantyloxycarbonyl)-1,3-diketo-isoindolin-2-yl]acetic acid Formula: C21H21NO6 MolecularWeight: 383.39454

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/c23-17(24)10-22-18(25)15-2-1-14(6-16(15)19(22)26)20(27)28-21-7-11-3-12(8-21)5-13(4-11)9-21/h1-2,6,11-13H,3-5,7-10H2,(H,23,24)