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812

Summary
Name:N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
Formula:C18 H22 N2 O
Formal charge:0
Formula weight:282.38 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
OpenEye OEToolkits1.5.0N-(phenylmethyl)-4-[[(2R)-pyrrolidin-2-yl]methoxy]aniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c2ccc(NCc1ccccc1)cc2)CC3NCCC3
SMILES_CANONICALCACTVS3.341C1CN[C@H](C1)COc2ccc(NCc3ccccc3)cc2
SMILESCACTVS3.341C1CN[CH](C1)COc2ccc(NCc3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CNc2ccc(cc2)OCC3CCCN3
InChIInChI1.03InChI=1S/C18H22N2O/c1-2-5-15(6-3-1)13-20-16-8-10-18(11-9-16)21-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19-20H,4,7,12-14H2/t17-/m1/s1
InChIKeyInChI1.03HITMFLNAOQIZSN-QGZVFWFLSA-N

222415

数据于2024-07-10公开中

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