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Summary Geometry Related PDB entries

Z3J

Summary

Name:	5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
Formula:	C23 H24 N2 O5
Formal charge:	0
Formula weight:	408.447 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
OpenEye OEToolkits	2.0.7	2-(4-hydroxyphenyl)-~{N}-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-5-oxidanyl-1-benzofuran-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNC(=O)c1c2c(oc1c1ccc(O)cc1)ccc(O)c2CN1CCC2(C1)COC2
InChI	InChI	1.03	InChI=1S/C23H24N2O5/c1-24-22(28)20-19-16(10-25-9-8-23(11-25)12-29-13-23)17(27)6-7-18(19)30-21(20)14-2-4-15(26)5-3-14/h2-7,26-27H,8-13H2,1H3,(H,24,28)
InChIKey	InChI	1.03	VXMQXQJRVCOGAY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)c5ccc(O)cc5
SMILES	CACTVS	3.385	CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)c5ccc(O)cc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O
SMILES	OpenEye OEToolkits	2.0.7	CNC(=O)c1c2c(ccc(c2CN3CCC4(C3)COC4)O)oc1c5ccc(cc5)O

250835

PDB entries from 2026-03-18

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