2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid 2-phthalimidoethyl ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H24BrNO4/c23-22-10-14-7-15(11-22)9-21(8-14,13-22)12-18(25)28-6-5-24-19(26)16-3-1-2-4-17(16)20(24)27/h1-4,14-15H,5-13H2