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JEY

Summary
Name:N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Synonyms:2-phenylmelatonin
Formula:C19 H20 N2 O2
Formal charge:0
Formula weight:308.374 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
OpenEye OEToolkits2.0.6~{N}-[2-(5-methoxy-2-phenyl-1~{H}-indol-3-yl)ethyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C
InChIInChI1.03InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKeyInChI1.03OFCLARYYBGKCHN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3
SMILESCACTVS3.385COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC
SMILESOpenEye OEToolkits2.0.6CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC

225158

PDB entries from 2024-09-18

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