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Summary Geometry Related PDB entries

VCY

Summary

Name:	[2,6-bis(3-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	[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
OpenEye OEToolkits	2.0.7	2-[2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4(cc(c3c(c2c(cc(c1cccc(c1)OC)cc2)o3)CC(O)=O)ccc4)OC
InChI	InChI	1.03	InChI=1S/C24H20O5/c1-27-18-7-3-5-15(11-18)16-9-10-20-21(14-23(25)26)24(29-22(20)13-16)17-6-4-8-19(12-17)28-2/h3-13H,14H2,1-2H3,(H,25,26)
InChIKey	InChI	1.03	DPEJTEZYXSGVKK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccc(c1)c2ccc3c(CC(O)=O)c(oc3c2)c4cccc(OC)c4
SMILES	CACTVS	3.385	COc1cccc(c1)c2ccc3c(CC(O)=O)c(oc3c2)c4cccc(OC)c4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC
SMILES	OpenEye OEToolkits	2.0.7	COc1cccc(c1)c2ccc3c(c2)oc(c3CC(=O)O)c4cccc(c4)OC

222415

PDB entries from 2024-07-10

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