Chem
J-GLOBAL ID：201407099237014584   Nikkaji number：J3.239.120F

2-[2,7-Dimethyl-3,6-bis(ethylamino)-9-cyano-9H-xanthene-9-yl]benzoic acid ethyl ester

2-[2,7-ジメチル-3,6-ビス(エチルアミノ)-9-シアノ-9H-キサンテン-9-イル]安息香酸エチル
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： C29H31N3O3
Molecular formula furigana： C29-H31-N3-O3
Molecular weight： 469.585
InChI： InChI=1S/C29H31N3O3/c1-6-31-24-15-26-22(13-18(24)4)29(17-30,21-12-10-9-11-20(21)28(33)34-8-3)23-14-19(5)25(32-7-2)16-27(23)35-26/h9-16,31-32H,6-8H2,1-5H3
InChI key： WNPGLRRZPCJNBI-UHFFFAOYSA-N
SMILES： CCNc1cc2Oc3cc(NCC)c(C)cc3C(C#N)(c2cc1C)c1ccccc1C(=O)OCC
Systematic name  (3)：
  • 2-[2,7-ジメチル-3,6-ビス(エチルアミノ)-9-シアノ-9H-キサンテン-9-イル]安息香酸エチル
  • エチル 2-[9-シアノ-3,6-ビス(エチルアミノ)-2,7-ジメチル-9H-キサンテン-9-イル]ベンゾアート
  • ethyl 2-[9-cyano-3,6-bis(ethylamino)-2,7-dimethyl-9H-xanthen-9-yl]benzoate
Other name (1)：
  • 2-[2,7-Dimethyl-3,6-bis(ethylamino)-9-cyano-9H-xanthene-9-yl]benzoic acid ethyl ester
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