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

Systemtic Name: [(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3S)-1-piperonylpyrrolidin-3-yl] ester Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(C3)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O[C@H]3CCN(C3)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H29NO5/c27-24(25(28,20-8-4-5-9-20)19-6-2-1-3-7-19)31-21-12-13-26(16-21)15-18-10-11-22-23(14-18)30-17-29-22/h1-3,6-7,10-11,14,20-21,28H,4-5,8-9,12-13,15-17H2/t21-,25?/m0/s1