[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-methylpentanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate Traditional Name: 4-methyl-2-phthalimido-valeric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H32N2O5/c1-15(2)7-21(28-23(30)19-5-3-4-6-20(19)24(28)31)25(32)33-14-22(29)27-26-11-16-8-17(12-26)10-18(9-16)13-26/h3-6,15-18,21H,7-14H2,1-2H3,(H,27,29)