GRK

4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide

Created: 2018-10-05
Last modified:  2018-10-31

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count39
Aromatic Bond Count12
2D diagram of GRK

Chemical Component Summary

Name4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
Systematic Name (OpenEye OEToolkits)4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
FormulaC16 H16 N2 O4
Molecular Weight300.309
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO
Canonical SMILESCACTVS3.385 COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO
Canonical SMILESOpenEye OEToolkits2.0.6 COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO
InChIInChI1.03 InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyInChI1.03 DFZIVCDTMKHRDI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3799265
PubChem 127047413
ChEMBL CHEMBL3799265