Chem
J-GLOBAL ID:200907026882017124   Nikkaji number:J917.151G

(S)-5-Methylheptanoic acid (S)-2-[(1,3-dioxo-2,3-dihydro-1H-naphth[2,3-f]isoindol)-2-yl]propyl ester

(2S)-2-{1,3-ジオキソ-1H,2H,3H-ナフト[2,3-f]イソインドール-2-イル}プロピル (5S)-5-メチルヘプタノアート
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: C27H29NO4
Molecular formula furigana: C27-H29-N-O4
Molecular weight: 431.532
InChI: InChI=1S/C27H29NO4/c1-4-17(2)8-7-11-25(29)32-16-18(3)28-26(30)23-14-21-12-19-9-5-6-10-20(19)13-22(21)15-24(23)27(28)31/h5-6,9-10,12-15,17-18H,4,7-8,11,16H2,1-3H3/t17-,18-/m0/s1
InChI key: QTYHJTZFBKTOBD-ROUUACIJSA-N
SMILES: CC[C@H](C)CCCC(=O)OC[C@H](C)N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O
Systematic name  (3):
  • (S)-5-メチルヘプタン酸(S)-2-[(1,3-ジオキソ-2,3-ジヒドロ-1H-ナフト[2,3-f]イソインドール)-2-イル]プロピル
  • (2S)-2-{1,3-ジオキソ-1H,2H,3H-ナフト[2,3-f]イソインドール-2-イル}プロピル (5S)-5-メチルヘプタノアート
  • (2S)-2-{1,3-dioxo-1H,2H,3H-naphtho[2,3-f]isoindol-2-yl}propyl (5S)-5-methylheptanoate
Other name (1):
  • (S)-5-Methylheptanoic acid (S)-2-[(1,3-dioxo-2,3-dihydro-1H-naphth[2,3-f]isoindol)-2-yl]propyl ester
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