Chem
J-GLOBAL ID:201707012579892316   Nikkaji number:J3.624.571I

(1S,2R)-N-(1-Adamantyl)-2-(hydroxymethyl)-2β-(4-methoxyphenyl)cyclopropane-1α-carboxamide

(1S,2R)-N-(1-アダマンチル)-2-(ヒドロキシメチル)-2β-(4-メトキシフェニル)シクロプロパン-1α-カルボアミド
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: C22H29NO3
Molecular formula furigana: C22-H29-N-O3
Molecular weight: 355.478
InChI: InChI=1S/C22H29NO3/c1-26-18-4-2-17(3-5-18)22(13-24)12-19(22)20(25)23-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16,19,24H,6-13H2,1H3,(H,23,25)/t14-,15?,16?,19-,21-,22+/m1/s1
InChI key: HWWFXQVXJVCOQW-KPOPYEEXSA-N
SMILES: COc1ccc(cc1)[C@@]1(CO)C[C@@H]1C(=O)N[C@@]12CC3C[C@@H](CC(C3)C1)C2
Systematic name  (3):
  • (1S,2R)-N-(1-アダマンチル)-2-(ヒドロキシメチル)-2β-(4-メトキシフェニル)シクロプロパン-1α-カルボアミド
  • (1S,2R)-2-(ヒドロキシメチル)-2-(4-メトキシフェニル)-N-[(3r)-アダマンタン-1-イル]シクロプロパン-1-カルボキサミド
  • (1S,2R)-2-(hydroxymethyl)-2-(4-methoxyphenyl)-N-[(3r)-adamantan-1-yl]cyclopropane-1-carboxamide
Other name (1):
  • (1S,2R)-N-(1-Adamantyl)-2-(hydroxymethyl)-2β-(4-methoxyphenyl)cyclopropane-1α-carboxamide
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