Chem
J-GLOBAL ID：200907045273990740   Nikkaji number：J1.141.379J

1-[3-(2-Chloroethoxy)-4-methoxyphenyl]-1-(p-tolylthio)-7-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]heptane

1-[3-(2-クロロエトキシ)-4-メトキシフェニル]-1-(p-トリルチオ)-7-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタン
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： C34H44ClNO4S
Molecular formula furigana： C34-H44-CL-N-O4-S
Molecular weight： 598.240
InChI： InChI=1S/C34H44ClNO4S/c1-25-10-13-29(14-11-25)41-34(27-12-15-30(37-2)33(22-27)40-20-17-35)9-7-5-6-8-18-36-19-16-26-21-31(38-3)32(39-4)23-28(26)24-36/h10-15,21-23,34H,5-9,16-20,24H2,1-4H3
InChI key： UCPKKHBZTKCRSR-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OCCCl)C(CCCCCCN1CCc2cc(OC)c(OC)cc2C1)Sc1ccc(C)cc1
Systematic name  (3)：
  • 1-[3-(2-クロロエトキシ)-4-メトキシフェニル]-1-(p-トリルチオ)-7-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタン
  • 2-{7-[3-(2-クロロエトキシ)-4-メトキシフェニル]-7-[(4-メチルフェニル)スルファニル]ヘプチル}-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン
  • 2-{7-[3-(2-chloroethoxy)-4-methoxyphenyl]-7-[(4-methylphenyl)sulfanyl]heptyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Other name (1)：
  • 1-[3-(2-Chloroethoxy)-4-methoxyphenyl]-1-(p-tolylthio)-7-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]heptane
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