Chem
J-GLOBAL ID：200907003242996479
Nikkaji number：J1.273.892G
(3S)-2-[3-(2,4-Dichlorophenyl)acryloyl]-6,8-diiodo-7-(benzyloxycarbonylmethoxy)-1,2,3,4-tetrahydroisoquinoline-3α-carboxylic acid
(3S)-2-[3-(2,4-ジクロロフェニル)アクリロイル]-6,8-ジヨード-7-(ベンジルオキシカルボニルメトキシ)-1,2,3,4-テトラヒドロイソキノリン-3α-カルボン酸
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： C28H21Cl2I2NO6
Molecular formula furigana： C28-H21-CL2-I2-N-O6
Molecular weight： 792.190
InChI：
InChI=1S/C28H21Cl2I2NO6/c29-19-8-6-17(21(30)12-19)7-9-24(34)33-13-20-18(11-23(33)28(36)37)10-22(31)27(26(20)32)39-15-25(35)38-14-16-4-2-1-3-5-16/h1-10,12,23H,11,13-15H2,(H,36,37)/t23-/m0/s1
InChI key：
SYUQKZMACREGQJ-QHCPKHFHSA-N
SMILES：
OC(=O)[C@@H]1Cc2cc(I)c(OCC(=O)OCc3ccccc3)c(I)c2CN1C(=O)C=Cc1ccc(Cl)cc1Cl
Systematic name (3)：
- (3S)-2-[3-(2,4-ジクロロフェニル)アクリロイル]-6,8-ジヨード-7-(ベンジルオキシカルボニルメトキシ)-1,2,3,4-テトラヒドロイソキノリン-3α-カルボン酸
- (3S)-7-[2-(ベンジルオキシ)-2-オキソエトキシ]-2-[3-(2,4-ジクロロフェニル)プロパ-2-エノイル]-6,8-ジヨード-1,2,3,4-テトラヒドロイソキノリン-3-カルボン酸
- (3S)-7-[2-(benzyloxy)-2-oxoethoxy]-2-[3-(2,4-dichlorophenyl)prop-2-enoyl]-6,8-diiodo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- (3S)-2-[3-(2,4-Dichlorophenyl)acryloyl]-6,8-diiodo-7-(benzyloxycarbonylmethoxy)-1,2,3,4-tetrahydroisoquinoline-3α-carboxylic acid
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