Chem
J-GLOBAL ID：200907075706115927   Nikkaji number：J771.896I

4-[2-Oxo-2-(methylphenethylamino)ethyl]-8-(benzyloxy)naphthalene-2-pentanoic acid

4-[2-オキソ-2-(メチルフェネチルアミノ)エチル]-8-(ベンジルオキシ)ナフタレン-2-ペンタン酸
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： C33H35NO4
Molecular formula furigana： C33-H35-N-O4
Molecular weight： 509.646
InChI： InChI=1S/C33H35NO4/c1-34(20-19-25-11-4-2-5-12-25)32(35)23-28-21-27(15-8-9-18-33(36)37)22-30-29(28)16-10-17-31(30)38-24-26-13-6-3-7-14-26/h2-7,10-14,16-17,21-22H,8-9,15,18-20,23-24H2,1H3,(H,36,37)
InChI key： KTVQVNQBHPYWRW-UHFFFAOYSA-N
SMILES： CN(CCc1ccccc1)C(=O)Cc1cc(CCCCC(=O)O)cc2c(OCc3ccccc3)cccc12
Systematic name  (3)：
  • 4-[2-オキソ-2-(メチルフェネチルアミノ)エチル]-8-(ベンジルオキシ)ナフタレン-2-ペンタン酸
  • 5-[8-(ベンジルオキシ)-4-{[メチル(2-フェニルエチル)カルバモイル]メチル}ナフタレン-2-イル]ペンタン酸
  • 5-[8-(benzyloxy)-4-{[methyl(2-phenylethyl)carbamoyl]methyl}naphthalen-2-yl]pentanoic acid
Other name (1)：
  • 4-[2-Oxo-2-(methylphenethylamino)ethyl]-8-(benzyloxy)naphthalene-2-pentanoic acid
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