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Summary Geometry Related PDB entries

VE7

Summary

Name:	[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
Formula:	C24 H20 O5
Formal charge:	0
Formula weight:	388.413 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
OpenEye OEToolkits	2.0.7	2-[6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1-benzofuran-3-yl]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c(c3c(c2c(cc(c1cc(ccc1)OC)cc2)o3)CC(O)=O)ccc(c4)OC
InChI	InChI	1.03	InChI=1S/C24H20O5/c1-27-18-9-6-15(7-10-18)24-21(14-23(25)26)20-11-8-17(13-22(20)29-24)16-4-3-5-19(12-16)28-2/h3-13H,14H2,1-2H3,(H,25,26)
InChIKey	InChI	1.03	TZSONHMMMFCHKL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)c2oc3cc(ccc3c2CC(O)=O)c4cccc(OC)c4
SMILES	CACTVS	3.385	COc1ccc(cc1)c2oc3cc(ccc3c2CC(O)=O)c4cccc(OC)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)c2c(c3ccc(cc3o2)c4cccc(c4)OC)CC(=O)O

222415

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