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M8X

Summary
Name:3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol
Formula:C19 H28 N2 O
Formal charge:0
Formula weight:300.438 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H28N2O/c1-21(12-11-15-7-4-2-3-5-8-15)14-16-13-20-19-17(16)9-6-10-18(19)22/h6,9-10,13,15,20,22H,2-5,7-8,11-12,14H2,1H3
InChIKeyInChI1.06MNMQAHKGWMLPCY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(CCC1CCCCCC1)Cc2c[nH]c3c(O)cccc23
SMILESCACTVS3.385CN(CCC1CCCCCC1)Cc2c[nH]c3c(O)cccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(CCC1CCCCCC1)Cc2c[nH]c3c2cccc3O
SMILESOpenEye OEToolkits2.0.7CN(CCC1CCCCCC1)Cc2c[nH]c3c2cccc3O

222415

数据于2024-07-10公开中

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