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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (5S,7S)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7S)-3-bromo-1-adamantanecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (5S,7S)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7S)-3-bromoadamantane-1-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-2-3-18-13(19)9-21-14(20)15-5-11-4-12(6-15)8-16(17,7-11)10-15/h1,11-12H,3-10H2,(H,18,19)/t11-,12-,15?,16?/m0/s1