VT4

2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one

Created:	2014-03-22
Last modified:	2014-04-16

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1 entries where VT4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	6

2D diagram of VT4

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Chemical Component Summary
Name	2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one
Systematic Name (OpenEye OEToolkits)	2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4-one
Formula	C₁₉ H₂₅ N O₂
Molecular Weight	299.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2C=C(N(C=C2Oc1ccccc1C)C)CCCCCC
SMILES	CACTVS	3.385	CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C
Canonical SMILES	CACTVS	3.385	CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C
InChI	InChI	1.03	InChI=1S/C19H25NO2/c1-4-5-6-7-11-16-13-17(21)19(14-20(16)3)22-18-12-9-8-10-15(18)2/h8-10,12-14H,4-7,11H2,1-3H3
InChIKey	InChI	1.03	UMFLEDWOPZCDDL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	73441660

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