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(2-benzamido-2-oxidanylidene-ethyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

(2-benzamido-2-oxidanylidene-ethyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name:(2-benzamido-2-oxidanylidene-ethyl) 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate
Openeye Name:(2-benzamido-2-oxo-ethyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate
CAS Name:2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-benzamido-2-oxoethyl) ester
IUPAC Name:(2-benzamido-2-oxoethyl) 2-[(5S,7R)-3-bromo-1-adamantyl]acetate
Traditional Name:2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid (2-benzamido-2-keto-ethyl) ester
Formula: C21H24BrNO4
MolecularWeight: 434.32356
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NC(=O)C4=CC=CC=C4


Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)OCC(=O)NC(=O)C4=CC=CC=C4


InChI

InChI=1S/C21H24BrNO4/c22-21-9-14-6-15(10-21)8-20(7-14,13-21)11-18(25)27-12-17(24)23-19(26)16-4-2-1-3-5-16/h1-5,14-15H,6-13H2,(H,23,24,26)/t14-,15+,20?,21?


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