Chem
J-GLOBAL ID:200907074567850025   Nikkaji number:J1.273.881A

(3S)-2-[3-[2-(Trifluoromethyl)phenyl]acryloyl]-6,8-diiodo-7-(3-methoxybenzyloxy)-1,2,3,4-tetrahydroisoquinoline-3α-carboxylic acid

(3S)-2-[3-[2-(トリフルオロメチル)フェニル]アクリロイル]-6,8-ジヨード-7-(3-メトキシベンジルオキシ)-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
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: C28H22F3I2NO5
Molecular formula furigana: C28-H22-F3-I2-N-O5
Molecular weight: 763.290
InChI: InChI=1S/C28H22F3I2NO5/c1-38-19-7-4-5-16(11-19)15-39-26-22(32)12-18-13-23(27(36)37)34(14-20(18)25(26)33)24(35)10-9-17-6-2-3-8-21(17)28(29,30)31/h2-12,23H,13-15H2,1H3,(H,36,37)/t23-/m0/s1
InChI key: SABZVPLBZKCOLJ-QHCPKHFHSA-N
SMILES: COc1cccc(COc2c(I)cc3C[C@H](N(Cc3c2I)C(=O)C=Cc2ccccc2C(F)(F)F)C(=O)O)c1
Systematic name  (3):
  • (3S)-2-[3-[2-(トリフルオロメチル)フェニル]アクリロイル]-6,8-ジヨード-7-(3-メトキシベンジルオキシ)-1,2,3,4-テトラヒドロイソキノリン-3α-カルボン酸
  • (3S)-6,8-ジヨード-7-[(3-メトキシフェニル)メトキシ]-2-{3-[2-(トリフルオロメチル)フェニル]プロパ-2-エノイル}-1,2,3,4-テトラヒドロイソキノリン-3-カルボン酸
  • (3S)-6,8-diiodo-7-[(3-methoxyphenyl)methoxy]-2-{3-[2-(trifluoromethyl)phenyl]prop-2-enoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Other name (1):
  • (3S)-2-[3-[2-(Trifluoromethyl)phenyl]acryloyl]-6,8-diiodo-7-(3-methoxybenzyloxy)-1,2,3,4-tetrahydroisoquinoline-3α-carboxylic acid
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