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4XB

Summary
Name:3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate
Formula:C23 H25 N O5
Formal charge:0
Formula weight:395.448 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate
OpenEye OEToolkits1.9.2(3-methoxyphenyl)methyl 3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCc1cccc(OC)c1)c4oc3cccc(OC2CCNCC2)c3c4C
InChIInChI1.03InChI=1S/C23H25NO5/c1-15-21-19(28-17-9-11-24-12-10-17)7-4-8-20(21)29-22(15)23(25)27-14-16-5-3-6-18(13-16)26-2/h3-8,13,17,24H,9-12,14H2,1-2H3
InChIKeyInChI1.03MODWRRKHFAUNLX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(COC(=O)c2oc3cccc(OC4CCNCC4)c3c2C)c1
SMILESCACTVS3.385COc1cccc(COC(=O)c2oc3cccc(OC4CCNCC4)c3c2C)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC
SMILESOpenEye OEToolkits1.9.2Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC

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건을2024-11-06부터공개중

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