Chem
J-GLOBAL ID：201407070102134859   Nikkaji number：J3.329.632K

2-[(2S,3S)-2-Vinyl-3-(4-methoxyphenylamino)octyl]malonic acid dimethyl ester

2-[(2S,3S)-2-ビニル-3-(4-メトキシフェニルアミノ)オクチル]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： C22H33NO5
Molecular formula furigana： C22-H33-N-O5
Molecular weight： 391.508
InChI： InChI=1S/C22H33NO5/c1-6-8-9-10-20(23-17-11-13-18(26-3)14-12-17)16(7-2)15-19(21(24)27-4)22(25)28-5/h7,11-14,16,19-20,23H,2,6,8-10,15H2,1,3-5H3/t16-,20+/m1/s1
InChI key： GILXDIBUKCYGMA-UZLBHIALSA-N
SMILES： CCCCC[C@H](Nc1ccc(OC)cc1)[C@@H](CC(C(=O)OC)C(=O)OC)C=C
Systematic name  (3)：
  • 2-[(2S,3S)-2-ビニル-3-(4-メトキシフェニルアミノ)オクチル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(2S,3S)-2-エテニル-3-[(4-メトキシフェニル)アミノ]オクチル]プロパンジオアート
  • 1,3-dimethyl 2-[(2S,3S)-2-ethenyl-3-[(4-methoxyphenyl)amino]octyl]propanedioate
Other name (1)：
  • 2-[(2S,3S)-2-Vinyl-3-(4-methoxyphenylamino)octyl]malonic acid dimethyl ester
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