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Summary Geometry Related PDB entries

EKY

Summary

Name:	2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline
Formula:	C21 H19 F2 N O3
Formal charge:	0
Formula weight:	371.377 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyaniline
OpenEye OEToolkits	2.0.7	2-[4-[[2,5-bis(fluoranyl)phenyl]methoxy]phenoxy]-5-ethoxy-aniline

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(COc2ccc(cc2)Oc2ccc(cc2N)OCC)c(F)cc1
InChI	InChI	1.06	InChI=1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3
InChIKey	InChI	1.06	YSUBLPUJDOWYDP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1
SMILES	CACTVS	3.385	CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOc1ccc(c(c1)N)Oc2ccc(cc2)OCc3cc(ccc3F)F
SMILES	OpenEye OEToolkits	2.0.7	CCOc1ccc(c(c1)N)Oc2ccc(cc2)OCc3cc(ccc3F)F

222415

PDB entries from 2024-07-10

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