N-[[2-(Chloromethyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

CAS Registry Number®

1307233-94-8
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CAS Name

N-[[2-(Chloromethyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

Molecular Formula

C20H21ClN4O3

Molecular Mass

400.86

Cite this Page

N-[[2-(Chloromethyl)-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=1307233-94-8 (retrieved 2024-08-03) (CAS RN: 1307233-94-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21ClN4O3/c1-3-28-19(26)9-11-25(17-6-4-5-10-22-17)20(27)14-7-8-16-15(12-14)23-18(13-21)24(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3

InChIKey

InChIKey=ATDFBDBECQOWSX-UHFFFAOYSA-N

SMILES

CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CCl

Canonical SMILES

O=C(OCC)CCN(C(=O)C=1C=CC2=C(N=C(N2C)CCl)C1)C3=NC=CC=C3

Other Names for this Substance

  • β-Alanine, N-[[2-(chloromethyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
  • N-[[2-(Chloromethyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester