F1Z

ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate

Created: 2018-05-17
Last modified:  2018-11-07

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count40
Aromatic Bond Count6
2D diagram of F1Z

Chemical Component Summary

Nameethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
Systematic Name (OpenEye OEToolkits)ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate
FormulaC15 H19 N3 O3
Molecular Weight289.33
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1
SMILESOpenEye OEToolkits2.0.6CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N
Canonical SMILESCACTVS3.385 CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1
Canonical SMILESOpenEye OEToolkits2.0.6 CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(cc1)N
InChIInChI1.03 InChI=1S/C15H19N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h1,5-8H,4,9-11,16H2,2H3,(H,17,20)
InChIKeyInChI1.03 XRVDTFOBXOWARD-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 137349304