[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] (2S)-2-(4-chlorophenyl)-3-oxidanyl-propanoate

Systemtic Name: [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] (2S)-2-(4-chlorophenyl)-3-oxidanyl-propanoate Openeye Name: [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] (2S)-2-(4-chlorophenyl)-3-hydroxy-propanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-hydroxypropanoic acid [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] (2S)-2-(4-chlorophenyl)-3-hydroxypropanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-hydroxy-propionic acid [(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C16H20ClNO3 MolecularWeight: 309.7879

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2)OC(=O)C(CO)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[C@H]2CC(C[C@@H]1N2)OC(=O)[C@H](CO)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H20ClNO3/c17-11-3-1-10(2-4-11)15(9-19)16(20)21-14-7-12-5-6-13(8-14)18-12/h1-4,12-15,18-19H,5-9H2/t12-,13+,14?,15-/m1/s1