[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-phthalimidopropionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-13(25-20(27)17-4-2-3-5-18(17)21(25)28)22(29)30-12-19(26)24-23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,13-16H,6-12H2,1H3,(H,24,26)