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Summary Geometry Related PDB entries

A1EUO

Summary

Name:	(1~{R},2~{S})-2-[(3-fluoranyl-5,6-dimethoxy-1-benzoselenophen-2-yl)carbonyl]cyclobutane-1-carboxylic acid
Formula:	C16 H15 F O5 Se
Formal charge:	0
Formula weight:	385.246 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(1~{R},2~{S})-2-[(3-fluoranyl-5,6-dimethoxy-1-benzoselenophen-2-yl)carbonyl]cyclobutane-1-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H15FO5Se/c1-21-10-5-9-12(6-11(10)22-2)23-15(13(9)17)14(18)7-3-4-8(7)16(19)20/h5-8H,3-4H2,1-2H3,(H,19,20)/t7-,8+/m0/s1
InChIKey	InChI	1.06	HYAIMSJZZMJUJN-JGVFFNPUSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2[se]c(c(F)c2cc1OC)C(=O)[C@H]3CC[C@H]3C(O)=O
SMILES	CACTVS	3.385	COc1cc2[se]c(c(F)c2cc1OC)C(=O)[CH]3CC[CH]3C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)[se]c(c2F)C(=O)[C@H]3CC[C@H]3C(=O)O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc2c(cc1OC)[se]c(c2F)C(=O)C3CCC3C(=O)O

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