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

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C23H30ClNO3/c1-3-25(4-2)20(26)19(18-8-6-5-7-9-18)28-21(27)22-11-16-10-17(12-22)14-23(24,13-16)15-22/h5-9,16-17,19H,3-4,10-15H2,1-2H3/t16-,17+,19-,22?,23?/m0/s1