β-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, (2E)-2-butenedioate (2:1)
CAS Registry Number®
1428362-10-0
No image available.
CAS Name
β-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, (2E)-2-butenedioate (2:1)Molecular Formula
C27H26N6O3.1/2C4H4O4Cite this Page
β-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, (2E)-2-butenedioate (2:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1428362-10-0 (retrieved ) (CAS RN: 1428362-10-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H26N6O3.C4H4O4/c1-3-36-26(34)13-15-33(24-6-4-5-14-29-24)27(35)20-9-12-23-22(16-20)31-25(32(23)2)18-30-21-10-7-19(17-28)8-11-21;5-3(6)1-2-4(7)8/h4-12,14,16,30H,3,13,15,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
InChIKey=WIAUQKAIELDIJJ-WLHGVMLRSA-N
SMILES
CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C#N)C=C4.C(=C/C(O)=O)\C(O)=O
Canonical SMILES
N#CC1=CC=C(C=C1)NCC2=NC=3C=C(C=CC3N2C)C(=O)N(C4=NC=CC=C4)CCC(=O)OCC.O=C(O)C=CC(=O)O
Other Names for this Substance
- β-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, (2E)-2-butenedioate (2:1)
