Chem
J-GLOBAL ID：201607002064925456   Nikkaji number：J3.529.093A

EMA-402

2-(ジフェニルアセチル)-5-(ベンジルオキシ)-6-メトキシ-1,2,3,4-テトラヒドロイソキノリン-3β-カルボン酸
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： C32H29NO5
Molecular formula furigana： C32-H29-N-O5
Molecular weight： 507.586
InChI： InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m1/s1
InChI key： GHBCIXGRCZIPNQ-HHHXNRCGSA-N
SMILES： COc1ccc2CN([C@H](Cc2c1OCc1ccccc1)C(=O)O)C(=O)C(c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 2-(ジフェニルアセチル)-5-(ベンジルオキシ)-6-メトキシ-1,2,3,4-テトラヒドロイソキノリン-3β-カルボン酸
  • (3R)-5-(ベンジルオキシ)-2-(2,2-ジフェニルアセチル)-6-メトキシ-1,2,3,4-テトラヒドロイソキノリン-3-カルボン酸
  • (3R)-5-(benzyloxy)-2-(2,2-diphenylacetyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Other name (2)：
  • 2-(Diphenylacetyl)-5-(benzyloxy)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3β-carboxylic acid
  • EMA-402
Thsaurus map：
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