[(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetic acid [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] ester IUPAC Name: [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [(1S,4S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(CC2)OC(=O)C(C3CCCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H](CC2)OC(=O)[C@](C3CCCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C22H31NO3/c1-23-18-12-14-19(23)20(15-13-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-20,25H,3,6-7,10-15H2,1H3/t18-,19+,20-,22+/m0/s1