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JFC

Summary
Name:ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate
Formula:C22 H25 N3 O3
Formal charge:0
Formula weight:379.452 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3
InChIKeyInChI1.06QBLOLELCAHJBDE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
SMILESCACTVS3.385CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
SMILESOpenEye OEToolkits2.0.7CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4

222415

PDB entries from 2024-07-10

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