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VFX

Summary
Name:1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
Formula:C17 H27 N O2
Formal charge:0
Formula weight:277.402 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
OpenEye OEToolkits2.0.71-[(1~{R})-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1(CCCCC1)C(CN(C)C)c1ccc(OC)cc1
InChIInChI1.06InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3/t16-/m0/s1
InChIKeyInChI1.06PNVNVHUZROJLTJ-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)[C@H](CN(C)C)C2(O)CCCCC2
SMILESCACTVS3.385COc1ccc(cc1)[CH](CN(C)C)C2(O)CCCCC2
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C[C@@H](c1ccc(cc1)OC)C2(CCCCC2)O
SMILESOpenEye OEToolkits2.0.7CN(C)CC(c1ccc(cc1)OC)C2(CCCCC2)O

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건을2024-07-10부터공개중

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