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84N

Summary
Name:(5S)-5-[(1H-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one
Formula:C14 H14 N2 O2
Formal charge:0
Formula weight:242.273 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5S)-5-[(1H-indol-3-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one
OpenEye OEToolkits2.0.7(2~{S})-2-(1~{H}-indol-3-ylmethyl)-3-methoxy-1,2-dihydropyrrol-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C=C(OC)C(Cc2c[NH]c3ccccc23)N1
InChIInChI1.03InChI=1S/C14H14N2O2/c1-18-13-7-14(17)16-12(13)6-9-8-15-11-5-3-2-4-10(9)11/h2-5,7-8,12,15H,6H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyInChI1.03FDYXNJYFJLRJDR-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385COC1=CC(=O)N[C@H]1Cc2c[nH]c3ccccc23
SMILESCACTVS3.385COC1=CC(=O)N[CH]1Cc2c[nH]c3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7COC1=CC(=O)N[C@H]1Cc2c[nH]c3c2cccc3
SMILESOpenEye OEToolkits2.0.7COC1=CC(=O)NC1Cc2c[nH]c3c2cccc3

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건을2024-07-10부터공개중

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