Chem
J-GLOBAL ID：201407021621551784
Nikkaji number：J3.272.904E
2-[4-[2-Oxo-2-(cyclopropylamino)ethoxy]phenyl]-3-(3-chlorophenylethynyl)-6-hydroxybenzofuran-5-carboxylic acid
2-[4-[2-オキソ-2-(シクロプロピルアミノ)エトキシ]フェニル]-3-(3-クロロフェニルエチニル)-6-ヒドロキシベンゾフラン-5-カルボン酸
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
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
Molecular formula： C28H20ClNO6
Molecular formula furigana： C28-H20-CL-N-O6
Molecular weight： 501.920
InChI：
InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
InChI key：
IIURSEJMCKFEQG-UHFFFAOYSA-N
SMILES：
OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)c1ccc(OCC(=O)NC2CC2)cc1
Systematic name (3)：
- 2-[4-[2-オキソ-2-(シクロプロピルアミノ)エトキシ]フェニル]-3-(3-クロロフェニルエチニル)-6-ヒドロキシベンゾフラン-5-カルボン酸
- 3-[2-(3-クロロフェニル)エチニル]-2-{4-[(シクロプロピルカルバモイル)メトキシ]フェニル}-6-ヒドロキシ-1-ベンゾフラン-5-カルボン酸
- 3-[2-(3-chlorophenyl)ethynyl]-2-{4-[(cyclopropylcarbamoyl)methoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid
- 2-[4-[2-Oxo-2-(cyclopropylamino)ethoxy]phenyl]-3-(3-chlorophenylethynyl)-6-hydroxybenzofuran-5-carboxylic acid
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