Chem
J-GLOBAL ID:200907050999407797   Nikkaji number:J1.690.913K

(2S,3S)-2-(4-Methoxyphenylamino)-3-formylheptanoic acid ethyl ester

(2S,3S)-2-(4-メトキシフェニルアミノ)-3-ホルミルヘプタン酸エチル
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: C17H25NO4
Molecular formula furigana: C17-H25-N-O4
Molecular weight: 307.390
InChI: InChI=1S/C17H25NO4/c1-4-6-7-13(12-19)16(17(20)22-5-2)18-14-8-10-15(21-3)11-9-14/h8-13,16,18H,4-7H2,1-3H3/t13-,16+/m1/s1
InChI key: VVNXRXTWQVQIBI-CJNGLKHVSA-N
SMILES: CCCC[C@H](C=O)[C@H](Nc1ccc(OC)cc1)C(=O)OCC
Systematic name  (4):
  • (2S,3S)-2-(4-メトキシフェニルアミノ)-3-ホルミルヘプタン酸エチル
  • (2S,3S)-2-[(4-メトキシフェニル)アミノ]-3-ホルミルヘプタン酸エチル
  • エチル (2S,3S)-3-ホルミル-2-[(4-メトキシフェニル)アミノ]ヘプタノアート
  • ethyl (2S,3S)-3-formyl-2-[(4-methoxyphenyl)amino]heptanoate
Other name (2):
  • (2S,3S)-2-(4-Methoxyphenylamino)-3-formylheptanoic acid ethyl ester
  • (2S,3S)-2-[(4-Methoxyphenyl)amino]-3-formylheptanoic acid ethyl ester
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