[1,3-bis(oxidanylidene)isoindol-2-yl]methyl (5S,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid phthalimidomethyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C20H20BrNO4/c21-20-8-12-5-13(9-20)7-19(6-12,10-20)18(25)26-11-22-16(23)14-3-1-2-4-15(14)17(22)24/h1-4,12-13H,5-11H2/t12-,13+,19?,20?