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DLW

Summary
Name:(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one
Synonyms:KNI-10075
Formula:C22 H23 N O3
Formal charge:0
Formula weight:349.423 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C22H23NO3/c1-3-26-21-12-8-7-11-18(21)23-15(2)22-19(24)13-17(14-20(22)25)16-9-5-4-6-10-16/h4-12,17,24H,3,13-14H2,1-2H3/b23-15+/t17-/m0/s1
InChIKeyInChI1.03SXTKBCIYVZKDSS-BDFKGGEMSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccccc1N=C(C)C2=C(O)C[C@@H](CC2=O)c3ccccc3
SMILESCACTVS3.385CCOc1ccccc1N=C(C)C2=C(O)C[CH](CC2=O)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOc1ccccc1/N=C(\C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O
SMILESOpenEye OEToolkits2.0.6CCOc1ccccc1N=C(C)C2=C(CC(CC2=O)c3ccccc3)O

222415

건을2024-07-10부터공개중

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