[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (5R,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (5R,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (5R,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5R,7R)-3-chloro-1-adamantanecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (5R,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5R,7R)-3-chloroadamantane-1-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H25ClN2O4 MolecularWeight: 356.8444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4/c1-10(2)19-15(23)20-13(21)8-24-14(22)16-4-11-3-12(5-16)7-17(18,6-11)9-16/h10-12H,3-9H2,1-2H3,(H2,19,20,21,23)/t11-,12-,16?,17?/m1/s1