HCID56512

Mandelic acid, alpha-(phenylethynyl)-, 3-quinuclidinyl ester

1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbut-3-ynoate

C23H23NO3361.4 g/molCAS 92957-17-0

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IDENTITY

结构与身份

标准SMILES: O=C(OC1CN2CCC1CC2)C(O)(C#Cc1ccccc1)c1ccccc1
InChIKey: IHKNDYGDKUBCFR-UHFFFAOYSA-N
分子式: C23H23NO3
平均分子量: 361.4 g/mol
单同位素质量: 361.1677936

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 49.8 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 27
形式电荷: 0
复杂度: 585

ALIASES

名称与别名

共 16 条

alpha-(Phenylethynyl)mandelic acid 3-quinuclidinyl ester3-Quinuclidyl phenyl(phenylethynyl)glycolate92957-17-0MANDELIC ACID, alpha-(PHENYLETHYNYL)-, 3-QUINUCLIDINYL ESTERRefChem:351915NSC665687CHEMBL1994882SCHEMBL11106505DTXSID00918818IHKNDYGDKUBCFR-UHFFFAOYSA-N1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbut-3-ynoateNSC-665687NCI60_0226743-Quinuclidyl alpha-Phenyl-alpha-phenylethynylglycolatequinuclidin-3-yl 2-hydroxy-2,4-diphenyl-but-3-ynoate1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2,4-diphenyl-3-butynoate

REACTIONS

参与反应

2 条

uspto-grants-1984_08 · 10.6084/m9.figshare.5104873.v1 · US04465834

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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