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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OC(C4=CC=CC=C4)C(=O)N5CCCCC5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)O[C@H](C4=CC=CC=C4)C(=O)N5CCCCC5

InChI

InChI=1S/C26H34N2O4/c1-18(29)27-26-15-19-12-20(16-26)14-25(13-19,17-26)24(31)32-22(21-8-4-2-5-9-21)23(30)28-10-6-3-7-11-28/h2,4-5,8-9,19-20,22H,3,6-7,10-17H2,1H3,(H,27,29)/t19-,20+,22-,25?,26?/m1/s1