(2-morpholin-4-yl-2-oxidanylidene-ethyl) (5R,7R)-3-bromanyladamantane-1-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) (5R,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) (5R,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5R,7R)-3-bromo-1-adamantanecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) (5R,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5R,7R)-3-bromoadamantane-1-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C17H24BrNO4 MolecularWeight: 386.28076

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C23C[C@H]4C[C@H](C2)CC(C4)(C3)Br

InChI

InChI=1S/C17H24BrNO4/c18-17-8-12-5-13(9-17)7-16(6-12,11-17)15(21)23-10-14(20)19-1-3-22-4-2-19/h12-13H,1-11H2/t12-,13-,16?,17?/m1/s1