[(3S)-1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(3S)-1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3S)-1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3S)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3S)-1-homopiperonylpyrrolidin-3-yl] ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)CCC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O[C@H]3CCN(C3)CCC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C26H31NO5/c28-25(26(29,21-8-4-5-9-21)20-6-2-1-3-7-20)32-22-13-15-27(17-22)14-12-19-10-11-23-24(16-19)31-18-30-23/h1-3,6-7,10-11,16,21-22,29H,4-5,8-9,12-15,17-18H2/t22-,26?/m0/s1