α-(3-Cyanophenyl)-4-[(1,1-dimethylethoxy)carbonyl]-1-piperazineacetic acid

CAS Registry Number®

885274-33-9
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CAS Name

α-(3-Cyanophenyl)-4-[(1,1-dimethylethoxy)carbonyl]-1-piperazineacetic acid

Molecular Formula

C18H23N3O4

Molecular Mass

345.39

Cite this Page

α-(3-Cyanophenyl)-4-[(1,1-dimethylethoxy)carbonyl]-1-piperazineacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=885274-33-9 (retrieved 2024-09-06) (CAS RN: 885274-33-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)25-17(24)21-9-7-20(8-10-21)15(16(22)23)14-6-4-5-13(11-14)12-19/h4-6,11,15H,7-10H2,1-3H3,(H,22,23)

InChIKey

InChIKey=RPXHJMPXOXMYHN-UHFFFAOYSA-N

SMILES

C(C(O)=O)(C1=CC(C#N)=CC=C1)N2CCN(C(OC(C)(C)C)=O)CC2

Canonical SMILES

N#CC1=CC=CC(=C1)C(C(=O)O)N2CCN(C(=O)OC(C)(C)C)CC2

Other Names for this Substance

  • 1-Piperazineacetic acid, α-(3-cyanophenyl)-4-[(1,1-dimethylethoxy)carbonyl]-
  • α-(3-Cyanophenyl)-4-[(1,1-dimethylethoxy)carbonyl]-1-piperazineacetic acid