Chem
J-GLOBAL ID：201107011197595574   Nikkaji number：J2.891.506C

(1β,4S)-4-[(4-Methoxybenzyloxy)methyl]-7-azabicyclo[2.2.1]heptane-2α,7-dicarboxylic acid 7-tert-butyl ester

(1β,4S)-4-[(4-メトキシベンジルオキシ)メチル]-7-アザビシクロ[2.2.1]ヘプタン-2α,7-ジカルボン酸7-tert-ブチル
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： C21H29NO6
Molecular formula furigana： C21-H29-N-O6
Molecular weight： 391.464
InChI： InChI=1S/C21H29NO6/c1-20(2,3)28-19(25)22-17-9-10-21(22,11-16(17)18(23)24)13-27-12-14-5-7-15(26-4)8-6-14/h5-8,16-17H,9-13H2,1-4H3,(H,23,24)/t16-,17-,21+/m1/s1
InChI key： ZSBLDYWCIZHFCR-LZJOCLMNSA-N
SMILES： COc1ccc(COC[C@]23CC[C@H]([C@@H](C2)C(=O)O)N3C(=O)OC(C)(C)C)cc1
Systematic name  (3)：
  • (1β,4S)-4-[(4-メトキシベンジルオキシ)メチル]-7-アザビシクロ[2.2.1]ヘプタン-2α,7-ジカルボン酸7-tert-ブチル
  • (1R,2R,4S)-7-[(tert-ブトキシ)カルボニル]-4-{[(4-メトキシフェニル)メトキシ]メチル}-7-アザビシクロ[2.2.1]ヘプタン-2-カルボン酸
  • (1R,2R,4S)-7-[(tert-butoxy)carbonyl]-4-{[(4-methoxyphenyl)methoxy]methyl}-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
Other name (1)：
  • (1β,4S)-4-[(4-Methoxybenzyloxy)methyl]-7-azabicyclo[2.2.1]heptane-2α,7-dicarboxylic acid 7-tert-butyl ester
Thsaurus map：
Thesaurus Map

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