[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: 3-methyl-2-phthalimido-butyric acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6/c1-14(2)21(29-22(31)18-5-3-4-6-19(18)23(29)32)24(33)35-13-20(30)27-25(34)28-26-10-15-7-16(11-26)9-17(8-15)12-26/h3-6,14-17,21H,7-13H2,1-2H3,(H2,27,28,30,34)