TKT

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Summary

Name:(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE
Synonyms:TROPISETRON
Formula:C17 H20 N2 O2
Formal charge:0
Molecular weight:284.353 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
OpenEye OEToolkits1.6.1[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC2CC1N(C)C(CC1)C2)c4c3ccccc3nc4
SMILES_CANONICALCACTVS3.352CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4ccccc34
SMILESCACTVS3.352CN1[CH]2CC[CH]1CC(C2)OC(=O)c3c[nH]c4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.6.1CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4
SMILESOpenEye OEToolkits1.6.1CN1C2CCC1CC(C2)OC(=O)c3c[nH]c4c3cccc4
InChIInChI1.03InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
InChIKeyInChI1.03ZNRGQMMCGHDTEI-ITGUQSILSA-N