Chem
J-GLOBAL ID：200907048685479217   Nikkaji number：J1.818.650K

N,N-Bis(2-pyridylmethyl)aspartic acid dimethyl ester

N,N-ビス(2-ピリジルメチル)アスパラギン酸ジメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H21N3O4
Molecular formula furigana： C18-H21-N3-O4
Molecular weight： 343.383
InChI： InChI=1S/C18H21N3O4/c1-24-17(22)11-16(18(23)25-2)21(12-14-7-3-5-9-19-14)13-15-8-4-6-10-20-15/h3-10,16H,11-13H2,1-2H3/t16-/m0/s1
InChI key： NYDJUFFCOTUJDW-INIZCTEOSA-N
SMILES： COC(=O)C[C@H](N(Cc1ccccn1)Cc1ccccn1)C(=O)OC
Systematic name  (3)：
  • N,N-ビス(2-ピリジルメチル)アスパラギン酸ジメチル
  • 1,4-ジメチル (2S)-2-{ビス[(ピリジン-2-イル)メチル]アミノ}ブタンジオアート
  • 1,4-dimethyl (2S)-2-{bis[(pyridin-2-yl)methyl]amino}butanedioate
Other name (1)：
  • N,N-Bis(2-pyridylmethyl)aspartic acid dimethyl ester
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