Chem
J-GLOBAL ID:200907060216360160   Nikkaji number:J917.159B

(S)-4-Methylnonanoic 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 (4S)-4-メチルノナノアート
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: C29H33NO4
Molecular formula furigana: C29-H33-N-O4
Molecular weight: 459.586
InChI: InChI=1S/C29H33NO4/c1-4-5-6-9-19(2)12-13-27(31)34-18-20(3)30-28(32)25-16-23-14-21-10-7-8-11-22(21)15-24(23)17-26(25)29(30)33/h7-8,10-11,14-17,19-20H,4-6,9,12-13,18H2,1-3H3/t19-,20-/m0/s1
InChI key: YAUKJJSDLMOBFU-PMACEKPBSA-N
SMILES: CCCCC[C@H](C)CCC(=O)OC[C@H](C)N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O
Systematic name  (3):
  • (S)-4-メチルノナン酸(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 (4S)-4-メチルノナノアート
  • (2S)-2-{1,3-dioxo-1H,2H,3H-naphtho[2,3-f]isoindol-2-yl}propyl (4S)-4-methylnonanoate
Other name (1):
  • (S)-4-Methylnonanoic acid (S)-2-[(1,3-dioxo-2,3-dihydro-1H-naphth[2,3-f]isoindol)-2-yl]propyl ester
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