Chem
J-GLOBAL ID:201507095661069030
Nikkaji number:J3.353.203B
MRL-20
(2S)-2-(2-{[1-(4-メトキシベンゾイル)-2-メチル-5-(トリフルオロメトキシ)-1H-インドール-3-イル]メチル}フェノキシ)プロパノアート
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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:
C28 H23 F3 NO5 [O-]
Molecular formula furigana:
C28-H23-F3-N-O6
Molecular weight:
526.489
InChI:
InChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/p-1/t17-/m0/s1
InChI key:
BWTOBMCYVACNJZ-KRWDZBQOSA-M
SMILES:
COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2O[C@@H](C)C(=O)[O-])c2cc(OC(F)(F)F)ccc12
Systematic name (3):
(S)-2-[2-[[1-(4-メトキシベンゾイル)-2-メチル-5-(トリフルオロメトキシ)-1H-インドール-3-イル]メチル]フェノキシ]プロピオン酸アニオン
(2S)-2-(2-{[1-(4-メトキシベンゾイル)-2-メチル-5-(トリフルオロメトキシ)-1H-インドール-3-イル]メチル}フェノキシ)プロパノアート
(2S)-2-(2-{[1-(4-methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]methyl}phenoxy)propanoate
Other name (2):
(S)-2-[2-[[1-(4-Methoxybenzoyl)-2-methyl-5-(trifluoromethoxy)-1H-indole-3-yl]methyl]phenoxy]propionic acid anion
MRL-20
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