Chem
J-GLOBAL ID:200907024935950240   Nikkaji number:J2.677.696A

(3-Isocyanatophenyl)carbamic acid 4-(3,5-dimethylbenzoyloxy)butyl ester

(3-イソシアナトフェニル)カルバミド酸4-(3,5-ジメチルベンゾイルオキシ)ブチル
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: C21H22N2O5
Molecular formula furigana: C21-H22-N2-O5
Molecular weight: 382.416
InChI: InChI=1S/C21H22N2O5/c1-15-10-16(2)12-17(11-15)20(25)27-8-3-4-9-28-21(26)23-19-7-5-6-18(13-19)22-14-24/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,23,26)
InChI key: LKCKRVXNXVSWMG-UHFFFAOYSA-N
SMILES: Cc1cc(C)cc(c1)C(=O)OCCCCOC(=O)Nc1cccc(c1)N=C=O
Systematic name  (3):
  • (3-イソシアナトフェニル)カルバミド酸4-(3,5-ジメチルベンゾイルオキシ)ブチル
  • 4-{[(3-イソシアナトフェニル)カルバモイル]オキシ}ブチル 3,5-ジメチルベンゾアート
  • 4-{[(3-isocyanatophenyl)carbamoyl]oxy}butyl 3,5-dimethylbenzoate
Other name (1):
  • (3-Isocyanatophenyl)carbamic acid 4-(3,5-dimethylbenzoyloxy)butyl ester
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