MT6

methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate

Created:	2015-03-04
Last modified:	2015-09-23

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1 entries where MT6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	11

2D diagram of MT6

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Chemical Component Summary
Name	methyl 3-(4-oxo-4,5-dihydrofuro[3,2-c]pyridin-2-yl)benzoate
Systematic Name (OpenEye OEToolkits)	methyl 3-(4-oxidanylidene-5H-furo[3,2-c]pyridin-2-yl)benzoate
Formula	C₁₅ H₁₁ N O₄
Molecular Weight	269.252
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(c1cc2c(o1)C=CNC2=O)cccc3C(=O)OC
SMILES	CACTVS	3.385	COC(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
SMILES	OpenEye OEToolkits	1.9.2	COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O
Canonical SMILES	CACTVS	3.385	COC(=O)c1cccc(c1)c2oc3C=CNC(=O)c3c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O
InChI	InChI	1.03	InChI=1S/C15H11NO4/c1-19-15(18)10-4-2-3-9(7-10)13-8-11-12(20-13)5-6-16-14(11)17/h2-8H,1H3,(H,16,17)
InChIKey	InChI	1.03	OVTGPKXYLOQTEQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91885516

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