FTJ

(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid

Created:	2018-04-17
Last modified:	2018-08-15

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2 entries where FTJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	39
Aromatic Bond Count	17

2D diagram of FTJ

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Chemical Component Summary
Name	(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[4-(6-chloranylquinoxalin-2-yl)oxyphenoxy]propanoic acid
Formula	C₁₇ H₁₃ Cl N₂ O₄
Molecular Weight	344.749
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)C(Oc3ccc(Oc2nc1c(cc(cc1)Cl)nc2)cc3)C
SMILES	CACTVS	3.385	C[CH](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl
Canonical SMILES	CACTVS	3.385	C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl
InChI	InChI	1.03	InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
InChIKey	InChI	1.03	ABOOPXYCKNFDNJ-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	5484172
ChEBI	CHEBI:137507

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