Chem
J-GLOBAL ID:200907018481189612   Nikkaji number:J2.449.865D

(1R,2S,5S,7R)-2-[(2-Morpholinoethyl)carbamoyloxy]-5-[4-(trifluoromethyl)phenethyl]-7-ethynyl-6,8-dioxabicyclo[3.2.1]octane

(1R,2S,5S,7R)-2-[(2-モルホリノエチル)カルバモイルオキシ]-5-[4-(トリフルオロメチル)フェネチル]-7-エチニル-6,8-ジオキサビシクロ[3.2.1]オクタン
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: C24H29F3N2O5
Molecular formula furigana: C24-H29-F3-N2-O5
Molecular weight: 482.500
InChI: InChI=1S/C24H29F3N2O5/c1-2-19-21-20(32-22(30)28-11-12-29-13-15-31-16-14-29)8-10-23(33-19,34-21)9-7-17-3-5-18(6-4-17)24(25,26)27/h1,3-6,19-21H,7-16H2,(H,28,30)/t19-,20+,21+,23+/m1/s1
InChI key: JFCAIEKHIQNWNN-FBPBVXOASA-N
SMILES: FC(F)(F)c1ccc(CC[C@@]23CC[C@H](OC(=O)NCCN4CCOCC4)[C@@H](O2)[C@H](O3)C#C)cc1
Systematic name  (3):
  • (1R,2S,5S,7R)-2-[(2-モルホリノエチル)カルバモイルオキシ]-5-[4-(トリフルオロメチル)フェネチル]-7-エチニル-6,8-ジオキサビシクロ[3.2.1]オクタン
  • (1R,2S,5S,7R)-7-エチニル-5-{2-[4-(トリフルオロメチル)フェニル]エチル}-6,8-ジオキサビシクロ[3.2.1]オクタン-2-イル N-[2-(モルホリン-4-イル)エチル]カルバマート
  • (1R,2S,5S,7R)-7-ethynyl-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-6,8-dioxabicyclo[3.2.1]octan-2-yl N-[2-(morpholin-4-yl)ethyl]carbamate
Other name (1):
  • (1R,2S,5S,7R)-2-[(2-Morpholinoethyl)carbamoyloxy]-5-[4-(trifluoromethyl)phenethyl]-7-ethynyl-6,8-dioxabicyclo[3.2.1]octane
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