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W8T

Summary
Name:(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid
Formula:C18 H19 N O3
Formal charge:0
Formula weight:297.348 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-3-carboxylic acid
OpenEye OEToolkits2.0.7(2~{R},3~{S})-2-(phenoxymethyl)-1-phenyl-pyrrolidine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1
InChIInChI1.06InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1
InChIKeyInChI1.06ZUZAMWXPEJPXLO-IRXDYDNUSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@H]1CCN([C@H]1COc2ccccc2)c3ccccc3
SMILESCACTVS3.385OC(=O)[CH]1CCN([CH]1COc2ccccc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)N2CC[C@@H]([C@@H]2COc3ccccc3)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2CCC(C2COc3ccccc3)C(=O)O

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PDB entries from 2024-07-10

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