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Summary Geometry Related PDB entries

WIL

Summary

Name:	(1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid
Formula:	C19 H16 O4
Formal charge:	0
Formula weight:	308.328 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid
OpenEye OEToolkits	2.0.7	7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc(ccc1)c1c2cc(OC)ccc2ccc1C(=O)O
InChI	InChI	1.06	InChI=1S/C19H16O4/c1-22-14-5-3-4-13(10-14)18-16(19(20)21)9-7-12-6-8-15(23-2)11-17(12)18/h3-11H,1-2H3,(H,20,21)
InChIKey	InChI	1.06	JDSWYBFVGFQACV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cccc(c1)c2c(ccc3ccc(OC)cc23)C(O)=O
SMILES	CACTVS	3.385	COc1cccc(c1)c2c(ccc3ccc(OC)cc23)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cccc(c1)c2c(ccc3c2cc(cc3)OC)C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	COc1cccc(c1)c2c(ccc3c2cc(cc3)OC)C(=O)O

222415

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