E0P

ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate

Created:2017-11-20
Last modified:  2018-09-26

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count0
Bond Count44
Aromatic Bond Count12
2D diagram of E0P

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Chemical Component Summary

Nameethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
Systematic Name (OpenEye OEToolkits)ethyl 2-azanyl-5-oxidanylidene-7-propan-2-yl-chromeno[2,3-b]pyridine-3-carboxylate
FormulaC18 H18 N2 O4
Molecular Weight326.347
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCOC(c3cc2C(=O)c1cc(C(C)C)ccc1Oc2nc3N)=O
SMILESCACTVS3.385CCOC(=O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
SMILESOpenEye OEToolkits2.0.6CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C
Canonical SMILESCACTVS3.385 CCOC(=O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C
Canonical SMILESOpenEye OEToolkits2.0.6 CCOC(=O)c1cc2c(nc1N)Oc3ccc(cc3C2=O)C(C)C
InChIInChI1.03 InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
InChIKeyInChI1.03 PFDJAEKKGJFCNL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12852091