J77

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Summary

Name:(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE
Synonyms:R77975
Formula:C21 H27 N3 O3
Formal charge:0
Molecular weight:369.457 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04ethyl 4-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}benzoate
OpenEye OEToolkits1.5.0ethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC)c3ccc(OCCC2CCN(c1nnc(cc1)C)CC2)cc3
SMILES_CANONICALCACTVS3.341CCOC(=O)c1ccc(OCCC2CCN(CC2)c3ccc(C)nn3)cc1
SMILESCACTVS3.341CCOC(=O)c1ccc(OCCC2CCN(CC2)c3ccc(C)nn3)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C
SMILESOpenEye OEToolkits1.5.0CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C
InChIInChI1.03InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3
InChIKeyInChI1.03KCHIOGFOPPOUJC-UHFFFAOYSA-N
168889
PDB entries from 2020-09-16