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WY3

Summary
Name:7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE
Formula:C14 H15 N O4
Formal charge:0
Formula weight:261.273 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.64-(morpholin-4-ylmethyl)-7-oxidanyl-chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2
InChIKeyInChI1.03LLQWUZKGZZNBKG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc2C(=CC(=O)Oc2c1)CN3CCOCC3
SMILESCACTVS3.385Oc1ccc2C(=CC(=O)Oc2c1)CN3CCOCC3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1O)OC(=O)C=C2CN3CCOCC3

222415

数据于2024-07-10公开中

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