Chem
J-GLOBAL ID:200907046337009964   Nikkaji number:J2.513.903H

N-[4-(2-Cyanophenyl)benzyl]valine methyl ester

N-[4-(2-シアノフェニル)ベンジル]バリンメチル
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: C20H22N2O2
Molecular formula furigana: C20-H22-N2-O2
Molecular weight: 322.408
InChI: InChI=1S/C20H22N2O2/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21/h4-11,14,19,22H,13H2,1-3H3/t19-/m0/s1
InChI key: ZQHINOUCNQKQEV-IBGZPJMESA-N
SMILES: COC(=O)[C@@H](NCc1ccc(cc1)c1ccccc1C#N)C(C)C
Systematic name  (3):
  • N-[4-(2-シアノフェニル)ベンジル]バリンメチル
  • メチル (2S)-2-[({2'-シアノ-[1,1'-ビフェニル]-4-イル}メチル)アミノ]-3-メチルブタノアート
  • methyl (2S)-2-[({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)amino]-3-methylbutanoate
Other name (1):
  • N-[4-(2-Cyanophenyl)benzyl]valine methyl ester
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