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2NI

Summary
Name:N-{2-[(4'-CYANO-1,1'-BIPHENYL-4-YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
Formula:C17 H17 N3 O3
Formal charge:0
Formula weight:311.335 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-{2-[(4'-cyanobiphenyl-4-yl)oxy]ethyl}-3-hydroxy-1-methylurea
OpenEye OEToolkits1.5.01-[2-[4-(4-cyanophenyl)phenoxy]ethyl]-3-hydroxy-1-methyl-urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#Cc2ccc(c1ccc(OCCN(C(=O)NO)C)cc1)cc2
SMILES_CANONICALCACTVS3.341CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO
SMILESCACTVS3.341CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO
SMILESOpenEye OEToolkits1.5.0CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO
InChIInChI1.03InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
InChIKeyInChI1.03GVMUNGGWXRKCEU-UHFFFAOYSA-N

225681

數據於2024-10-02公開中

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