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7PC

Summary
Name:2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-5-PYRIDIN-2-YLPHENOL
Formula:C18 H15 Cl N2 O2
Formal charge:0
Formula weight:326.777 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[4-(aminomethyl)-2-chlorophenoxy]-5-pyridin-2-ylphenol
OpenEye OEToolkits1.5.02-[4-(aminomethyl)-2-chloro-phenoxy]-5-pyridin-2-yl-phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc3cc(ccc3Oc2c(O)cc(c1ncccc1)cc2)CN
SMILES_CANONICALCACTVS3.341NCc1ccc(Oc2ccc(cc2O)c3ccccn3)c(Cl)c1
SMILESCACTVS3.341NCc1ccc(Oc2ccc(cc2O)c3ccccn3)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN
SMILESOpenEye OEToolkits1.5.0c1ccnc(c1)c2ccc(c(c2)O)Oc3ccc(cc3Cl)CN
InChIInChI1.03InChI=1S/C18H15ClN2O2/c19-14-9-12(11-20)4-6-17(14)23-18-7-5-13(10-16(18)22)15-3-1-2-8-21-15/h1-10,22H,11,20H2
InChIKeyInChI1.03ANDLXIQDWFGHEE-UHFFFAOYSA-N

223790

数据于2024-08-14公开中

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