UVD

methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate

Created:2020-06-02
Last modified:  2020-06-17

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count33
Aromatic Bond Count12
2D diagram of UVD

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Chemical Component Summary

Namemethyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
Systematic Name (OpenEye OEToolkits)methyl ~{N}-[4-(pyridin-4-ylmethyl)phenyl]carbamate
FormulaC14 H14 N2 O2
Molecular Weight242.273
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2
SMILESCACTVS3.385COC(=O)Nc1ccc(Cc2ccncc2)cc1
SMILESOpenEye OEToolkits2.0.7COC(=O)Nc1ccc(cc1)Cc2ccncc2
Canonical SMILESCACTVS3.385 COC(=O)Nc1ccc(Cc2ccncc2)cc1
Canonical SMILESOpenEye OEToolkits2.0.7 COC(=O)Nc1ccc(cc1)Cc2ccncc2
InChIInChI1.03 InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKeyInChI1.03 ZWUBZIQOXMHHOZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 673870
ChEMBL CHEMBL1904189