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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid phthalimidomethyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H22BrNO4/c22-21-8-13-5-14(9-21)7-20(6-13,11-21)10-17(24)27-12-23-18(25)15-3-1-2-4-16(15)19(23)26/h1-4,13-14H,5-12H2