[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H26BrNO3 MolecularWeight: 372.29724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrNO3/c1-3-19-15(21)11(2)22-14(20)9-16-5-12-4-13(6-16)8-17(18,7-12)10-16/h11-13H,3-10H2,1-2H3,(H,19,21)/t11-,12-,13-,16?,17?/m0/s1