Chem
J-GLOBAL ID:200907097154863366
Nikkaji number:J917.147I
(S)-3-Methylpentanoic 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 (3S)-3-メチルペンタノアート
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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:
C25 H25 NO4
Molecular formula furigana:
C25-H25-N-O4
Molecular weight:
403.478
InChI:
InChI=1S/C25H25NO4/c1-4-15(2)9-23(27)30-14-16(3)26-24(28)21-12-19-10-17-7-5-6-8-18(17)11-20(19)13-22(21)25(26)29/h5-8,10-13,15-16H,4,9,14H2,1-3H3/t15-,16-/m0/s1
InChI key:
OHDICHVMUZYFSS-HOTGVXAUSA-N
SMILES:
CC[C@H](C)CC(=O)OC[C@H](C)N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O
Systematic name (3):
(S)-3-メチルペンタン酸(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 (3S)-3-メチルペンタノアート
(2S)-2-{1,3-dioxo-1H,2H,3H-naphtho[2,3-f]isoindol-2-yl}propyl (3S)-3-methylpentanoate
Other name (1):
(S)-3-Methylpentanoic acid (S)-2-[(1,3-dioxo-2,3-dihydro-1H-naphth[2,3-f]isoindol)-2-yl]propyl ester
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