rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-1,3-pyrrolidinedicarboxylate

CAS Registry Number®

1228666-27-0
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CAS Name

rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-1,3-pyrrolidinedicarboxylate

Molecular Formula

C20H28FN3O4

Molecular Mass

393.45

Cite this Page

rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-1,3-pyrrolidinedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1228666-27-0 (retrieved 2024-09-15) (CAS RN: 1228666-27-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H28FN3O4/c1-20(2,3)28-19(26)24-11-14(15(12-24)18(25)27-4)13-7-8-16(22-17(13)21)23-9-5-6-10-23/h7-8,14-15H,5-6,9-12H2,1-4H3/t14-,15+/s2

InChIKey

InChIKey=DWCQZHQUMYNFSA-PVRQQBJHNA-N

SMILES

C(OC)(=O)[C@H]1[C@@H](CN(C(OC(C)(C)C)=O)C1)C2=C(F)N=C(C=C2)N3CCCC3

Canonical SMILES

O=C(OC(C)(C)C)N1CC(C(=O)OC)C(C=2C=CC(=NC2F)N3CCCC3)C1

Other Names for this Substance

  • 1,3-Pyrrolidinedicarboxylic acid, 4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-, 1-(1,1-dimethylethyl) 3-methyl ester, (3R,4S)-rel-
  • rel-1-(1,1-Dimethylethyl) 3-methyl (3R,4S)-4-[2-fluoro-6-(1-pyrrolidinyl)-3-pyridinyl]-1,3-pyrrolidinedicarboxylate