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VRF

Summary
Name:N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
Formula:C23 H20 N2 O3
Formal charge:0
Formula weight:372.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-{2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide
OpenEye OEToolkits2.0.7~{N}-[2-[2-(6-cyanonaphthalen-1-yl)oxyphenoxy]ethyl]-~{N}-methyl-prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=CC(=O)N(C)CCOc1ccccc1Oc1cccc2cc(C#N)ccc21
InChIInChI1.06InChI=1S/C23H20N2O3/c1-3-23(26)25(2)13-14-27-21-8-4-5-9-22(21)28-20-10-6-7-18-15-17(16-24)11-12-19(18)20/h3-12,15H,1,13-14H2,2H3
InChIKeyInChI1.06WLNNVBKTQQOUDW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(CCOc1ccccc1Oc2cccc3cc(ccc23)C#N)C(=O)C=C
SMILESCACTVS3.385CN(CCOc1ccccc1Oc2cccc3cc(ccc23)C#N)C(=O)C=C
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N)C(=O)C=C
SMILESOpenEye OEToolkits2.0.7CN(CCOc1ccccc1Oc2cccc3c2ccc(c3)C#N)C(=O)C=C

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PDB entries from 2024-07-10

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