HCID22318659

1-t-butoxycarbonyl-4-[carboxy-(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine

2-(4-fluorophenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]acetic acid

C18H22FNO4335.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)N1CC=C(C(C(=O)O)c2ccc(F)cc2)CC1
InChIKey: NVEHQWMWLZFQIE-UHFFFAOYSA-N
分子式: C18H22FNO4
平均分子量: 335.4 g/mol
单同位素质量: 335.15328635

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 66.8 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 24
形式电荷: 0
复杂度: 504

ALIASES

名称与别名

共 4 条

SCHEMBL5934213NVEHQWMWLZFQIE-UHFFFAOYSA-N1-t-butoxycarbonyl-4-[carboxy-(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine1-tert-butoxycarbonyl-4-[carboxy-(4-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949552B2

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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949552B2

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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949552B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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