Chem
J-GLOBAL ID:200907039902377127   Nikkaji number:J2.463.441H

2-[α-(2-Pyrrolyl)-4-hydroxybenzyl]malonic acid dimethyl ester

2-[α-(2-ピロリル)-4-ヒドロキシベンジル]マロン酸ジメチル
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: C16H17NO5
Molecular formula furigana: C16-H17-N-O5
Molecular weight: 303.314
InChI: InChI=1S/C16H17NO5/c1-21-15(19)14(16(20)22-2)13(12-4-3-9-17-12)10-5-7-11(18)8-6-10/h3-9,13-14,17-18H,1-2H3
InChI key: LIFRTSOJCWOOCZ-UHFFFAOYSA-N
SMILES: COC(=O)C(C(c1ccc[nH]1)c1ccc(O)cc1)C(=O)OC
Systematic name  (3):
  • 2-[α-(2-ピロリル)-4-ヒドロキシベンジル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(4-ヒドロキシフェニル)(1H-ピロール-2-イル)メチル]プロパンジオアート
  • 1,3-dimethyl 2-[(4-hydroxyphenyl)(1H-pyrrol-2-yl)methyl]propanedioate
Other name (1):
  • 2-[α-(2-Pyrrolyl)-4-hydroxybenzyl]malonic acid dimethyl ester
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