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0ME

Summary
Name:(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
Formula:C20 H22 N2 O2
Formal charge:0
Formula weight:322.401 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
OpenEye OEToolkits1.7.6(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCC2c3c(Oc1c2cccc1)cccc3)C4CCCNC4
InChIInChI1.03InChI=1S/C20H22N2O2/c23-20(14-6-5-11-21-12-14)22-13-17-15-7-1-3-9-18(15)24-19-10-4-2-8-16(17)19/h1-4,7-10,14,17,21H,5-6,11-13H2,(H,22,23)/t14-/m0/s1
InChIKeyInChI1.03WUFJDXQJUMCLAA-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.370O=C(NCC1c2ccccc2Oc3ccccc13)[C@H]4CCCNC4
SMILESCACTVS3.370O=C(NCC1c2ccccc2Oc3ccccc13)[CH]4CCCNC4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)[C@H]4CCCNC4
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)C(c3ccccc3O2)CNC(=O)C4CCCNC4

218500

PDB entries from 2024-04-17

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