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

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (5S,7S)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7S)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (5S,7S)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7S)-3-chloroadamantane-1-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O4/c1-2-3-19-15(23)20-13(21)9-24-14(22)16-5-11-4-12(6-16)8-17(18,7-11)10-16/h2,11-12H,1,3-10H2,(H2,19,20,21,23)/t11-,12-,16?,17?/m0/s1