Chem
J-GLOBAL ID：201407087100273045   Nikkaji number：J3.324.122D

N-(4-Isopropylphenyl)carbamic acid (S)-1-(4-fluorophenyl)-2-(1H-imidazole-1-yl)ethyl ester

N-(4-イソプロピルフェニル)カルバミド酸(S)-1-(4-フルオロフェニル)-2-(1H-イミダゾール-1-イル)エチル
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： C21H22FN3O2
Molecular formula furigana： C21-H22-F-N3-O2
Molecular weight： 367.424
InChI： InChI=1S/C21H22FN3O2/c1-15(2)16-5-9-19(10-6-16)24-21(26)27-20(13-25-12-11-23-14-25)17-3-7-18(22)8-4-17/h3-12,14-15,20H,13H2,1-2H3,(H,24,26)/t20-/m1/s1
InChI key： OMXCIRVMHPGVCD-HXUWFJFHSA-N
SMILES： CC(C)c1ccc(NC(=O)O[C@H](Cn2ccnc2)c2ccc(F)cc2)cc1
Systematic name  (3)：
  • N-(4-イソプロピルフェニル)カルバミド酸(S)-1-(4-フルオロフェニル)-2-(1H-イミダゾール-1-イル)エチル
  • (1S)-1-(4-フルオロフェニル)-2-(1H-イミダゾール-1-イル)エチル N-[4-(プロパン-2-イル)フェニル]カルバマート
  • (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl N-[4-(propan-2-yl)phenyl]carbamate
Other name (1)：
  • N-(4-Isopropylphenyl)carbamic acid (S)-1-(4-fluorophenyl)-2-(1H-imidazole-1-yl)ethyl ester
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