sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]-3-phenyl-propanoate CAS Name: sodium 2-[5-[1-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]-3-phenylpropanoate IUPAC Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]-3-phenylpropanoate Traditional Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-diketo-isoindolin-2-yl]-3-phenyl-propionate Formula: C28H26NNaO6 MolecularWeight: 495.49891

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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)C(CC6=CC=CC=C6)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C(CC6=CC=CC=C6)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H27NO6.Na/c30-24-21-7-6-20(27(34)35-28-13-17-8-18(14-28)10-19(9-17)15-28)12-22(21)25(31)29(24)23(26(32)33)11-16-4-2-1-3-5-16;/h1-7,12,17-19,23H,8-11,13-15H2,(H,32,33);/q;+1/p-1