[(4S)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate hydrate

Systemtic Name: [(4S)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 2-oxidanyl-2,2-diphenyl-ethanoate hydrate Openeye Name: [(4S)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenyl-acetate hydrate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(4S)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] ester hydrate IUPAC Name: [(4S)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] 2-hydroxy-2,2-diphenylacetate hydrate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(4S)-8-methyl-8-azabicyclo[3.2.1]octan-4-yl] ester hydrate Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.O

Isomeric SMILES

CN1C2CC[C@@H](C1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.O

InChI

InChI=1S/C22H25NO3.H2O/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;/h2-11,18-20,25H,12-15H2,1H3;1H2/t18?,19?,20-;/m0./s1