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JEV

Summary
Name:N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide
Synonyms:Ramelteon
Formula:C16 H21 N O2
Formal charge:0
Formula weight:259.343 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide
OpenEye OEToolkits2.0.6~{N}-[2-[(8~{S})-2,6,7,8-tetrahydro-1~{H}-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(NC(CC)=O)CC3CCc2ccc1OCCc1c23
InChIInChI1.03InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyInChI1.03YLXDSYKOBKBWJQ-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12
SMILESCACTVS3.385CCC(=O)NCC[CH]1CCc2ccc3OCCc3c12
SMILES_CANONICALOpenEye OEToolkits2.0.6CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3
SMILESOpenEye OEToolkits2.0.6CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3

217705

PDB entries from 2024-03-27

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