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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H28ClNO3/c24-23-13-16-10-17(14-23)12-22(11-16,15-23)21(27)28-19(18-6-2-1-3-7-18)20(26)25-8-4-5-9-25/h1-3,6-7,16-17,19H,4-5,8-15H2/t16-,17+,19-,22?,23?/m1/s1