M65

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Summary

Name:ethyl 7-imidazol-1-ylheptanoate
Formula:C12 H20 N2 O2
Formal charge:0
Molecular weight:224.299 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 7-imidazol-1-ylheptanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H20N2O2/c1-2-16-12(15)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-11H,2-7,9H2,1H3
InChIKeyInChI1.03IGQBGUMGRVQYDB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CCCCCCn1ccnc1
SMILESCACTVS3.385CCOC(=O)CCCCCCn1ccnc1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)CCCCCCn1ccnc1
SMILESOpenEye OEToolkits2.0.7CCOC(=O)CCCCCCn1ccnc1
170172
PDB entries from 2020-10-21