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HWL

Summary
Name:Flavoxate
Synonyms:2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
Formula:C24 H25 N O4
Formal charge:0
Formula weight:391.46 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
InChIKeyInChI1.03SPIUTQOUKAMGCX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4
SMILESCACTVS3.385CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(Oc2c(cccc2C(=O)OCCN3CCCCC3)C1=O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CC1=C(Oc2c(cccc2C(=O)OCCN3CCCCC3)C1=O)c4ccccc4

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건을2024-07-10부터공개중

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