Chem
J-GLOBAL ID:200907097823771553   Nikkaji number:J917.154A

(R)-6-Methyloctanoic 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 (6R)-6-メチルオクタノアート
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: C28H31NO4
Molecular formula furigana: C28-H31-N-O4
Molecular weight: 445.559
InChI: InChI=1S/C28H31NO4/c1-4-18(2)9-5-8-12-26(30)33-17-19(3)29-27(31)24-15-22-13-20-10-6-7-11-21(20)14-23(22)16-25(24)28(29)32/h6-7,10-11,13-16,18-19H,4-5,8-9,12,17H2,1-3H3/t18-,19+/m1/s1
InChI key: CLLUSKMDJXGDOS-MOPGFXCFSA-N
SMILES: CC[C@@H](C)CCCCC(=O)OC[C@H](C)N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O
Systematic name  (3):
  • (R)-6-メチルオクタン酸(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 (6R)-6-メチルオクタノアート
  • (2S)-2-{1,3-dioxo-1H,2H,3H-naphtho[2,3-f]isoindol-2-yl}propyl (6R)-6-methyloctanoate
Other name (1):
  • (R)-6-Methyloctanoic acid (S)-2-[(1,3-dioxo-2,3-dihydro-1H-naphth[2,3-f]isoindol)-2-yl]propyl ester
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