Chem
J-GLOBAL ID：200907000496146786
Nikkaji number：J1.120.961K
3-[3-[3-[4-(2-Ethoxyphenyl)piperazino]propoxy]-4-(4-methylbenzyloxy)benzoyl]-1H-indole-1-butanoic acid
3-[3-[3-[4-(2-エトキシフェニル)ピペラジノ]プロポキシ]-4-(4-メチルベンジルオキシ)ベンゾイル]-1H-インドール-1-ブタン酸
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： C42H47N3O6
Molecular formula furigana： C42-H47-N3-O6
Molecular weight： 689.853
InChI：
InChI=1S/C42H47N3O6/c1-3-49-38-13-7-6-12-37(38)44-25-23-43(24-26-44)21-9-27-50-40-28-33(19-20-39(40)51-30-32-17-15-31(2)16-18-32)42(48)35-29-45(22-8-14-41(46)47)36-11-5-4-10-34(35)36/h4-7,10-13,15-20,28-29H,3,8-9,14,21-27,30H2,1-2H3,(H,46,47)
InChI key：
FKVIOFOIOXNMNC-UHFFFAOYSA-N
SMILES：
CCOc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(=O)O)c3ccccc23)CC1
Systematic name (3)：
- 3-[3-[3-[4-(2-エトキシフェニル)ピペラジノ]プロポキシ]-4-(4-メチルベンジルオキシ)ベンゾイル]-1H-インドール-1-ブタン酸
- 4-[3-(3-{3-[4-(2-エトキシフェニル)ピペラジン-1-イル]プロポキシ}-4-[(4-メチルフェニル)メトキシ]ベンゾイル)-1H-インドール-1-イル]ブタン酸
- 4-[3-(3-{3-[4-(2-ethoxyphenyl)piperazin-1-yl]propoxy}-4-[(4-methylphenyl)methoxy]benzoyl)-1H-indol-1-yl]butanoic acid
- 3-[3-[3-[4-(2-Ethoxyphenyl)piperazino]propoxy]-4-(4-methylbenzyloxy)benzoyl]-1H-indole-1-butanoic acid
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