N-[[2-[[[4-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

CAS Registry Number®

872728-84-2
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CAS Name

N-[[2-[[[4-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

Molecular Formula

C28H27N7O5

Molecular Mass

541.56

Cite this Page

N-[[2-[[[4-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=872728-84-2 (retrieved 2024-08-22) (CAS RN: 872728-84-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H27N7O5/c1-3-39-25(36)13-15-35(23-6-4-5-14-29-23)27(37)19-9-12-22-21(16-19)31-24(34(22)2)17-30-20-10-7-18(8-11-20)26-32-28(38)40-33-26/h4-12,14,16,30H,3,13,15,17H2,1-2H3,(H,32,33,38)

InChIKey

InChIKey=IFNJZUROZYTOFX-UHFFFAOYSA-N

SMILES

CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C=C4)C=5NC(=O)ON5

Canonical SMILES

O=C1ON=C(N1)C=2C=CC(=CC2)NCC3=NC=4C=C(C=CC4N3C)C(=O)N(C5=NC=CC=C5)CCC(=O)OCC

Other Names for this Substance

  • β-Alanine, N-[[2-[[[4-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
  • N-[[2-[[[4-(2,5-Dihydro-5-oxo-1,2,4-oxadiazol-3-yl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester