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Summary Geometry Related PDB entries

UOV

Summary

Name:	N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
Formula:	C21 H24 N2 O2
Formal charge:	0
Formula weight:	336.427 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[4-(4-methylphenyl)phenyl]-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C)cc3)cc4
InChI	InChI	1.03	InChI=1S/C21H24N2O2/c1-16-2-4-17(5-3-16)18-6-8-19(9-7-18)22-20(24)23-13-10-21(11-14-23)12-15-25-21/h2-9H,10-15H2,1H3,(H,22,24)
InChIKey	InChI	1.03	WYXWIBFERBQYBG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2
SMILES	CACTVS	3.385	Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3CCC4(CC3)CCO4

220113

PDB entries from 2024-05-22

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