[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H22BrNO3 MolecularWeight: 368.26548

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

C#CCNC(=O)COC(=O)CC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C17H22BrNO3/c1-2-3-19-14(20)10-22-15(21)9-16-5-12-4-13(6-16)8-17(18,7-12)11-16/h1,12-13H,3-11H2,(H,19,20)/t12-,13-,16?,17?/m0/s1