46B

{4-[6-BROMO-3-(BUTYLAMINO)IMIDAZO[1,2-A]PYRIDIN-2-YL]PHENOXY}ACETIC ACID

Created:	2011-12-15
Last modified:	2014-09-05

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	16

2D diagram of 46B

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Chemical Component Summary
Name	{4-[6-BROMO-3-(BUTYLAMINO)IMIDAZO[1,2-A]PYRIDIN-2-YL]PHENOXY}ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-[4-[6-bromanyl-3-(butylamino)imidazo[1,2-a]pyridin-2-yl]phenoxy]ethanoic acid
Formula	C₁₉ H₂₀ Br N₃ O₃
Molecular Weight	418.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)COc3ccc(c1nc2ccc(Br)cn2c1NCCCC)cc3
SMILES	CACTVS	3.385	CCCCNc1n2cc(Br)ccc2nc1c3ccc(OCC(O)=O)cc3
SMILES	OpenEye OEToolkits	1.9.2	CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O
Canonical SMILES	CACTVS	3.385	CCCCNc1n2cc(Br)ccc2nc1c3ccc(OCC(O)=O)cc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCNc1c(nc2n1cc(cc2)Br)c3ccc(cc3)OCC(=O)O
InChI	InChI	1.03	InChI=1S/C19H20BrN3O3/c1-2-3-10-21-19-18(22-16-9-6-14(20)11-23(16)19)13-4-7-15(8-5-13)26-12-17(24)25/h4-9,11,21H,2-3,10,12H2,1H3,(H,24,25)
InChIKey	InChI	1.03	OZIYUZINTQIIAN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66545745, 72200789
ChEMBL	CHEMBL3217973

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