[3-(phenylmethyl)-3-azabicyclo[3.2.1]octan-8-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate

Systemtic Name: [3-(phenylmethyl)-3-azabicyclo[3.2.1]octan-8-yl] 2-cyclopentyl-2-oxidanyl-2-thiophen-2-yl-ethanoate Openeye Name: (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetic acid [3-(phenylmethyl)-3-azabicyclo[3.2.1]octan-8-yl] ester IUPAC Name: (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-(2-thienyl)acetic acid (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) ester Formula: C25H31NO3S MolecularWeight: 425.58354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C4CCC3CN(C4)CC5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CS2)(C(=O)OC3C4CCC3CN(C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C25H31NO3S/c27-24(25(28,21-9-4-5-10-21)22-11-6-14-30-22)29-23-19-12-13-20(23)17-26(16-19)15-18-7-2-1-3-8-18/h1-3,6-8,11,14,19-21,23,28H,4-5,9-10,12-13,15-17H2