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W9A

Summary
Name:(1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
Formula:C17 H28 F N O2
Formal charge:0
Formula weight:297.408 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-3-amino-1-{4-fluoro-3-[(2-propylpentyl)oxy]phenyl}propan-1-ol
OpenEye OEToolkits2.0.7(1~{R})-3-azanyl-1-[4-fluoranyl-3-(2-propylpentoxy)phenyl]propan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C(c1ccc(F)c(OCC(CCC)CCC)c1)O)CN
InChIInChI1.03InChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-17-11-14(7-8-15(17)18)16(20)9-10-19/h7-8,11,13,16,20H,3-6,9-10,12,19H2,1-2H3/t16-/m1/s1
InChIKeyInChI1.03WDYVEMOTVIKKNU-MRXNPFEDSA-N
SMILES_CANONICALCACTVS3.385CCCC(CCC)COc1cc(ccc1F)[C@H](O)CCN
SMILESCACTVS3.385CCCC(CCC)COc1cc(ccc1F)[CH](O)CCN
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O
SMILESOpenEye OEToolkits2.0.7CCCC(CCC)COc1cc(ccc1F)C(CCN)O

222415

数据于2024-07-10公开中

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