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V3W

Summary
Name:4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde
Formula:C14 H17 N O3
Formal charge:0
Formula weight:247.29 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3
InChIKeyInChI1.03ZOMLYGRJHVNCLW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC1CCN(CC1)C(=O)c2ccc(C=O)cc2
SMILESCACTVS3.385COC1CCN(CC1)C(=O)c2ccc(C=O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7COC1CCN(CC1)C(=O)c2ccc(cc2)C=O
SMILESOpenEye OEToolkits2.0.7COC1CCN(CC1)C(=O)c2ccc(cc2)C=O

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PDB entries from 2024-07-24

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