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Summary Geometry Related PDB entries

G24

Summary

Name:	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
Synonyms:	GC-24
Formula:	C24 H24 O4
Formal charge:	0
Formula weight:	376.445 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	[4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid
OpenEye OEToolkits	1.5.0	2-[4-[[4-hydroxy-3-(phenylmethyl)phenyl]methyl]-3,5-dimethyl-phenoxy]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)COc1cc(c(c(c1)C)Cc2ccc(O)c(c2)Cc3ccccc3)C
SMILES_CANONICAL	CACTVS	3.341	Cc1cc(OCC(O)=O)cc(C)c1Cc2ccc(O)c(Cc3ccccc3)c2
SMILES	CACTVS	3.341	Cc1cc(OCC(O)=O)cc(C)c1Cc2ccc(O)c(Cc3ccccc3)c2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O
InChI	InChI	1.03	InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)
InChIKey	InChI	1.03	JYHIGYLGYNCMGI-UHFFFAOYSA-N

223790

PDB entries from 2024-08-14

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