[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C24H32N2O4/c1-17(21(27)26-9-7-25(8-10-26)20-5-3-2-4-6-20)30-22(28)23-12-18-11-19(13-23)15-24(29,14-18)16-23/h2-6,17-19,29H,7-16H2,1H3/t17-,18-,19+,23?,24?/m1/s1