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Summary Geometry Related PDB entries

O6Y

Summary

Name:	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
Formula:	C20 H20 N2 O3
Formal charge:	0
Formula weight:	336.384 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-methyl-4-{4-[2-(morpholin-4-yl)-2-oxoethyl]phenoxy}benzonitrile
OpenEye OEToolkits	2.0.7	2-methyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)phenoxy]benzenecarbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(Oc1cc(C)c(cc1)C#N)ccc(cc2)CC(=O)N3CCOCC3
InChI	InChI	1.03	InChI=1S/C20H20N2O3/c1-15-12-19(7-4-17(15)14-21)25-18-5-2-16(3-6-18)13-20(23)22-8-10-24-11-9-22/h2-7,12H,8-11,13H2,1H3
InChIKey	InChI	1.03	QOJWBEUMAJACBY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(Oc2ccc(CC(=O)N3CCOCC3)cc2)ccc1C#N
SMILES	CACTVS	3.385	Cc1cc(Oc2ccc(CC(=O)N3CCOCC3)cc2)ccc1C#N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3

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