[(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3S)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-3-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2R)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3S)-1-(coumaran-5-ylmethyl)pyrrolidin-3-yl] ester Formula: C26H31NO4 MolecularWeight: 421.52864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)CC4=CC5=C(C=C4)OCC5)O

Isomeric SMILES

C1CCC(C1)[C@@](C2=CC=CC=C2)(C(=O)O[C@H]3CCN(C3)CC4=CC5=C(C=C4)OCC5)O

InChI

InChI=1S/C26H31NO4/c28-25(26(29,22-8-4-5-9-22)21-6-2-1-3-7-21)31-23-12-14-27(18-23)17-19-10-11-24-20(16-19)13-15-30-24/h1-3,6-7,10-11,16,22-23,29H,4-5,8-9,12-15,17-18H2/t23-,26-/m0/s1