7FF

methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate

Created: 2016-10-19
Last modified:  2017-02-22

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count30
Aromatic Bond Count6
2D diagram of 7FF

Chemical Component Summary

Namemethyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate
Systematic Name (OpenEye OEToolkits)methyl 6-azanyl-3,4-dihydro-2~{H}-quinoline-1-carboxylate
FormulaC11 H14 N2 O2
Molecular Weight206.241
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COC(=O)N1CCCc2cc(N)ccc12
SMILESOpenEye OEToolkits2.0.6COC(=O)N1CCCc2c1ccc(c2)N
Canonical SMILESCACTVS3.385 COC(=O)N1CCCc2cc(N)ccc12
Canonical SMILESOpenEye OEToolkits2.0.6 COC(=O)N1CCCc2c1ccc(c2)N
InChIInChI1.03 InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3
InChIKeyInChI1.03 NRFKTHKRWVPCRM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5312074