Chem
J-GLOBAL ID：200907063386063410
Nikkaji number：J1.597.931C
2-[(2S)-2-(1,3-Dioxo-2H-isoindole-2-yl)propionyl]-6,7-dimethoxy-1,2-dihydroisoquinoline-1-acetic acid benzyl ester
2-[(2S)-2-(1,3-ジオキソ-2H-イソインドール-2-イル)プロピオニル]-6,7-ジメトキシ-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
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
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
Molecular formula： C31H28N2O7
Molecular formula furigana： C31-H28-N2-O7
Molecular weight： 540.572
InChI：
InChI=1S/C31H28N2O7/c1-19(33-30(36)22-11-7-8-12-23(22)31(33)37)29(35)32-14-13-21-15-26(38-2)27(39-3)16-24(21)25(32)17-28(34)40-18-20-9-5-4-6-10-20/h4-16,19,25H,17-18H2,1-3H3/t19-,25?/m0/s1
InChI key：
LXKSHWNIWNAMQD-UBDBMELISA-N
SMILES：
COc1cc2C=CN(C(CC(=O)OCc3ccccc3)c2cc1OC)C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O
Systematic name (3)：
- 2-[(2S)-2-(1,3-ジオキソ-2H-イソインドール-2-イル)プロピオニル]-6,7-ジメトキシ-1,2-ジヒドロイソキノリン-1-酢酸ベンジル
- ベンジル 2-{2-[(2S)-2-(1,3-ジオキソ-2,3-ジヒドロ-1H-イソインドール-2-イル)プロパノイル]-6,7-ジメトキシ-1,2-ジヒドロイソキノリン-1-イル}アセタート
- benzyl 2-{2-[(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoyl]-6,7-dimethoxy-1,2-dihydroisoquinolin-1-yl}acetate
- 2-[(2S)-2-(1,3-Dioxo-2H-isoindole-2-yl)propionyl]-6,7-dimethoxy-1,2-dihydroisoquinoline-1-acetic acid benzyl ester
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