[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] (2R)-3-acetyloxy-2-phenyl-propanoate

Systemtic Name: [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] (2R)-3-acetyloxy-2-phenyl-propanoate Openeye Name: [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] (2R)-3-acetoxy-2-phenyl-propanoate CAS Name: (2R)-3-acetyloxy-2-phenylpropanoic acid [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] ester IUPAC Name: [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] (2R)-3-acetyloxy-2-phenylpropanoate Traditional Name: (2R)-3-acetoxy-2-phenyl-propionic acid [(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C1=CC=CC=C1)C(=O)OC2CC3CCCC(C2)N3C

Isomeric SMILES

CC(=O)OC[C@@H](C1=CC=CC=C1)C(=O)OC2C[C@H]3CCC[C@@H](C2)N3C

InChI

InChI=1S/C20H27NO4/c1-14(22)24-13-19(15-7-4-3-5-8-15)20(23)25-18-11-16-9-6-10-17(12-18)21(16)2/h3-5,7-8,16-19H,6,9-13H2,1-2H3/t16-,17+,18?,19-/m0/s1