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Summary Geometry Related PDB entries

A1EF3

Summary

Name:	4-butoxy-~{N}-[[4-(dimethylamino)oxan-4-yl]methyl]-3,5-dimethoxy-benzamide
Formula:	C21 H34 N2 O5
Formal charge:	0
Formula weight:	394.505 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-butoxy-~{N}-[[4-(dimethylamino)oxan-4-yl]methyl]-3,5-dimethoxy-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H34N2O5/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21/h13-14H,6-12,15H2,1-5H3,(H,22,24)
InChIKey	InChI	1.06	JQUVQWMHZSYCRQ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCOc1c(OC)cc(cc1OC)C(=O)NCC2(CCOCC2)N(C)C
SMILES	CACTVS	3.385	CCCCOc1c(OC)cc(cc1OC)C(=O)NCC2(CCOCC2)N(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCCCOc1c(cc(cc1OC)C(=O)NCC2(CCOCC2)N(C)C)OC
SMILES	OpenEye OEToolkits	2.0.7	CCCCOc1c(cc(cc1OC)C(=O)NCC2(CCOCC2)N(C)C)OC

247536

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