[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H24BrNO3 MolecularWeight: 358.27066

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C16H24BrNO3/c1-3-18-13(19)10(2)21-14(20)15-5-11-4-12(6-15)8-16(17,7-11)9-15/h10-12H,3-9H2,1-2H3,(H,18,19)/t10-,11-,12-,15?,16?/m0/s1