[(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(2R,3R)-2-methylquinuclidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(2R,3R)-2-methylquinuclidin-3-yl] ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[C@@H]1[C@@H](C2CCN1CC2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H29NO3/c1-15-19(16-11-13-22(15)14-12-16)25-20(23)21(24,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,15-16,18-19,24H,5-6,9-14H2,1H3/t15-,19+,21?/m1/s1