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VWK

Summary
Name:3-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
Formula:C22 H20 N2 O3
Formal charge:0
Formula weight:360.406 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}-N,N-dimethylpropanamide
OpenEye OEToolkits2.0.73-[2-(6-cyanonaphthalen-1-yl)oxyphenoxy]-~{N},~{N}-dimethyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)C(=O)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChIInChI1.06InChI=1S/C22H20N2O3/c1-24(2)22(25)12-13-26-20-7-3-4-8-21(20)27-19-9-5-6-17-14-16(15-23)10-11-18(17)19/h3-11,14H,12-13H2,1-2H3
InChIKeyInChI1.06QIORNPOXHBDSPJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)CCOc1ccccc1Oc2cccc3cc(ccc23)C#N
SMILESCACTVS3.385CN(C)C(=O)CCOc1ccccc1Oc2cccc3cc(ccc23)C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C(=O)CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N

223532

数据于2024-08-07公开中

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