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Summary Geometry Related PDB entries

2UT

Summary

Name:	(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C22 H22 N2 O5
Formal charge:	0
Formula weight:	394.42 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2Z)-2-{4-[2-(morpholin-4-yl)ethoxy]benzylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide
OpenEye OEToolkits	1.7.6	(2Z)-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-3-oxidanylidene-1-benzofuran-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c4cccc(C(=O)N)c4O/C1=C\c3ccc(OCCN2CCOCC2)cc3
InChI	InChI	1.03	InChI=1S/C22H22N2O5/c23-22(26)18-3-1-2-17-20(25)19(29-21(17)18)14-15-4-6-16(7-5-15)28-13-10-24-8-11-27-12-9-24/h1-7,14H,8-13H2,(H2,23,26)/b19-14-
InChIKey	InChI	1.03	HKLACZHOKMVNEF-RGEXLXHISA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1cccc2C(=O)\C(Oc12)=C\c3ccc(OCCN4CCOCC4)cc3
SMILES	CACTVS	3.385	NC(=O)c1cccc2C(=O)C(Oc12)=Cc3ccc(OCCN4CCOCC4)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc2c(c(c1)C(=O)N)O/C(=C\c3ccc(cc3)OCCN4CCOCC4)/C2=O
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c(c(c1)C(=O)N)OC(=Cc3ccc(cc3)OCCN4CCOCC4)C2=O

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