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J24

Summary
Name:ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
Formula:C22 H23 N O5
Formal charge:0
Formula weight:381.422 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
OpenEye OEToolkits1.7.6ethyl 4-(morpholin-4-ylmethyl)-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC)c2c3c(c(O)ccc3oc2c1ccccc1)CN4CCOCC4
InChIInChI1.03InChI=1S/C22H23NO5/c1-2-27-22(25)20-19-16(14-23-10-12-26-13-11-23)17(24)8-9-18(19)28-21(20)15-6-4-3-5-7-15/h3-9,24H,2,10-14H2,1H3
InChIKeyInChI1.03OGXGATRCXHSTEV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1c(oc2ccc(O)c(CN3CCOCC3)c12)c4ccccc4
SMILESCACTVS3.385CCOC(=O)c1c(oc2ccc(O)c(CN3CCOCC3)c12)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4
SMILESOpenEye OEToolkits1.7.6CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4

218500

PDB entries from 2024-04-17

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