[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H28ClNO4/c24-23-13-16-10-17(14-23)12-22(11-16,15-23)21(27)29-19(18-4-2-1-3-5-18)20(26)25-6-8-28-9-7-25/h1-5,16-17,19H,6-15H2/t16-,17+,19-,22?,23?/m1/s1