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Summary Geometry Related PDB entries

OOY

Summary

Name:	N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
Formula:	C27 H29 N3 O4
Formal charge:	0
Formula weight:	459.537 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[2,4-bis(morpholin-4-yl)phenyl]-3-phenoxybenzamide
OpenEye OEToolkits	2.0.7	~{N}-(2,4-dimorpholin-4-ylphenyl)-3-phenoxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cc(c(N1CCOCC1)cc2N3CCOCC3)NC(=O)c4cc(ccc4)Oc5ccccc5
InChI	InChI	1.03	InChI=1S/C27H29N3O4/c31-27(21-5-4-8-24(19-21)34-23-6-2-1-3-7-23)28-25-10-9-22(29-11-15-32-16-12-29)20-26(25)30-13-17-33-18-14-30/h1-10,19-20H,11-18H2,(H,28,31)
InChIKey	InChI	1.03	NPIWJUNMCKXNKZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1ccc(cc1N2CCOCC2)N3CCOCC3)c4cccc(Oc5ccccc5)c4
SMILES	CACTVS	3.385	O=C(Nc1ccc(cc1N2CCOCC2)N3CCOCC3)c4cccc(Oc5ccccc5)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)Oc2cccc(c2)C(=O)Nc3ccc(cc3N4CCOCC4)N5CCOCC5

227344

數據於2024-11-13公開中

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