Chem
J-GLOBAL ID：201307088832667428   Nikkaji number：J3.137.088D

1-(Adamantane-1-yl)-3-[4β-(4-carboxyphenoxy)cyclohexane-1α-yl]urea

1-(アダマンタン-1-イル)-3-[4β-(4-カルボキシフェノキシ)シクロヘキサン-1α-イル]尿素
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： C24H32N2O4
Molecular formula furigana： C24-H32-N2-O4
Molecular weight： 412.530
InChI： InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29)/t15-,16?,17?,19-,21-,24-
InChI key： KNBWKJBQDAQARU-PEHSABSWSA-N
SMILES： OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)N[C@@]23CC4C[C@@H](CC(C4)C2)C3)cc1
Systematic name  (3)：
  • 1-(アダマンタン-1-イル)-3-[4β-(4-カルボキシフェノキシ)シクロヘキサン-1α-イル]尿素
  • 4-{[(1r,4r)-4-({[(3r)-アダマンタン-1-イル]カルバモイル}アミノ)シクロヘキシル]オキシ}安息香酸
  • 4-{[(1r,4r)-4-({[(3r)-adamantan-1-yl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid
Other name (1)：
  • 1-(Adamantane-1-yl)-3-[4β-(4-carboxyphenoxy)cyclohexane-1α-yl]urea
Thsaurus map：
Thesaurus Map

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