tert-butyl (1S,3R,5S,7S)-3-acetamido-5-bromanyl-adamantane-1-carboxylate

Systemtic Name: tert-butyl (1S,3R,5S,7S)-3-acetamido-5-bromanyl-adamantane-1-carboxylate Openeye Name: tert-butyl (1S,3R,5S,7S)-3-acetamido-5-bromo-adamantane-1-carboxylate CAS Name: (1S,3R,5S,7S)-3-acetamido-5-bromo-1-adamantanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,3R,5S,7S)-3-acetamido-5-bromoadamantane-1-carboxylate Traditional Name: (1S,3R,5S,7S)-3-acetamido-5-bromo-adamantane-1-carboxylic acid tert-butyl ester Formula: C17H26BrNO3 MolecularWeight: 372.29724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)(CC(C3)(C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H26BrNO3/c1-11(20)19-17-7-12-5-15(9-17,8-16(18,6-12)10-17)13(21)22-14(2,3)4/h12H,5-10H2,1-4H3,(H,19,20)/t12-,15-,16+,17-/m1/s1