VP2

3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide

Created:	2023-09-14
Last modified:	2023-11-08

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1 entries where VP2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	16

2D diagram of VP2

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Chemical Component Summary
Name	3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2,2-bis(fluoranyl)ethyl]-3-[2-(2-cyanoindolizin-8-yl)oxyphenoxy]propanamide
Formula	C₂₀ H₁₇ F₂ N₃ O₃
Molecular Weight	385.364
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
SMILES	CACTVS	3.385	FC(F)CNC(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)OCCC(=O)NCC(F)F)Oc2cccn3c2cc(c3)C#N
Canonical SMILES	CACTVS	3.385	FC(F)CNC(=O)CCOc1ccccc1Oc2cccn3cc(cc23)C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)OCCC(=O)NCC(F)F)Oc2cccn3c2cc(c3)C#N
InChI	InChI	1.06	InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
InChIKey	InChI	1.06	PTNLADVCXMBZFS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169452779

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