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
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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:
C24 H32 N2 O4
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
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