[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C18H28BrNO3 MolecularWeight: 386.32382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C18H28BrNO3/c1-4-16(2,3)20-14(21)10-23-15(22)17-6-12-5-13(7-17)9-18(19,8-12)11-17/h12-13H,4-11H2,1-3H3,(H,20,21)/t12-,13-,17?,18?/m0/s1