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SummaryGeometryRelated PDB entries

80A

Summary
Name:(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
Formula:C18 H22 N2 O2
Formal charge:0
Formula weight:298.379 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
OpenEye OEToolkits1.5.0(R)-pyridin-4-yl-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1)C(O)c2ccncc2)CCN3CCCC3
SMILES_CANONICALCACTVS3.341O[C@@H](c1ccncc1)c2ccc(OCCN3CCCC3)cc2
SMILESCACTVS3.341O[CH](c1ccncc1)c2ccc(OCCN3CCCC3)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(c2ccncc2)O)OCCN3CCCC3
InChIInChI1.03InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1
InChIKeyInChI1.03QQRJWLDQBNAQCC-GOSISDBHSA-N

218853

PDB entries from 2024-04-24

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