4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid 4-phthalimidobutyl ester Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H33N3O5/c30-22(34-10-4-3-9-29-23(31)20-5-1-2-6-21(20)24(29)32)7-8-27-25(33)28-26-14-17-11-18(15-26)13-19(12-17)16-26/h1-2,5-6,17-19H,3-4,7-16H2,(H2,27,28,33)