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Summary Geometry Related PDB entries

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Summary

Name:	4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
Formula:	C21 H21 N O3
Formal charge:	0
Formula weight:	335.396 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine
OpenEye OEToolkits	1.9.2	4-(3-methoxy-5-methyl-phenoxy)-2-(4-methoxyphenyl)-6-methyl-pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1cc(cc(OC)c1)C)c2cc(nc(c2)C)c3ccc(OC)cc3
InChI	InChI	1.03	InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3
InChIKey	InChI	1.03	WAAJEIGWGSZNPQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2
SMILES	CACTVS	3.385	COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC

224201

數據於2024-08-28公開中

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