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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid 2-phthalimidoethyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H29N3O5/c28-20(32-8-7-27-21(29)18-3-1-2-4-19(18)22(27)30)5-6-25-23(31)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-4,15-17H,5-14H2,(H2,25,26,31)