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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrNO3/c1-10(2)18-13(19)8-21-14(20)15-4-11-3-12(5-15)7-16(17,6-11)9-15/h10-12H,3-9H2,1-2H3,(H,18,19)/t11-,12-,15?,16?/m0/s1