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DLK

Summary
Name:2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione
Formula:C21 H21 N O3
Formal charge:0
Formula weight:335.396 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.62-[1-[(2-methoxyphenyl)amino]ethylidene]-5-phenyl-cyclohexane-1,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H21NO3/c1-14(22-17-10-6-7-11-20(17)25-2)21-18(23)12-16(13-19(21)24)15-8-4-3-5-9-15/h3-11,16,22H,12-13H2,1-2H3/b21-14-/t16-/m0/s1
InChIKeyInChI1.03VBDYUYVCODLQFF-AKGOGDBKSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1N[C](C)=[C@@]2C(=O)C[CH](CC2=O)c3ccccc3
SMILESCACTVS3.385COc1ccccc1N[C](C)=[C]2C(=O)C[CH](CC2=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC
SMILESOpenEye OEToolkits2.0.6CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC

222624

PDB entries from 2024-07-17

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