Chem
J-GLOBAL ID：201607012296329634   Nikkaji number：J3.498.966D

4-Chlorophenylcarbamic acid (S)-2-(4-ethynylbenzoylamino)-2-phenylethyl ester

4-クロロフェニルカルバミド酸(S)-2-(4-エチニルベンゾイルアミノ)-2-フェニルエチル
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： C24H19ClN2O3
Molecular formula furigana： C24-H19-CL-N2-O3
Molecular weight： 418.880
InChI： InChI=1S/C24H19ClN2O3/c1-2-17-8-10-19(11-9-17)23(28)27-22(18-6-4-3-5-7-18)16-30-24(29)26-21-14-12-20(25)13-15-21/h1,3-15,22H,16H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChI key： OSEBSTAAASAJKC-JOCHJYFZSA-N
SMILES： Clc1ccc(NC(=O)OC[C@@H](NC(=O)c2ccc(cc2)C#C)c2ccccc2)cc1
Systematic name  (3)：
  • 4-クロロフェニルカルバミド酸(S)-2-(4-エチニルベンゾイルアミノ)-2-フェニルエチル
  • (2S)-2-[(4-エチニルフェニル)ホルムアミド]-2-フェニルエチル N-(4-クロロフェニル)カルバマート
  • (2S)-2-[(4-ethynylphenyl)formamido]-2-phenylethyl N-(4-chlorophenyl)carbamate
Other name (1)：
  • 4-Chlorophenylcarbamic acid (S)-2-(4-ethynylbenzoylamino)-2-phenylethyl ester
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