Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

ZRZ

Summary
Name:3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
Formula:C16 H19 N O4
Formal charge:0
Formula weight:289.326 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
OpenEye OEToolkits2.0.73-(6-oxa-9-azaspiro[4.5]decan-9-ylcarbonyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1
InChIInChI1.06InChI=1S/C16H19NO4/c18-14(12-4-3-5-13(10-12)15(19)20)17-8-9-21-16(11-17)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,19,20)
InChIKeyInChI1.06WRSNGBAODXMMQK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(c1)C(=O)N2CCOC3(CCCC3)C2
SMILESCACTVS3.385OC(=O)c1cccc(c1)C(=O)N2CCOC3(CCCC3)C2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)C(=O)O)C(=O)N2CCOC3(C2)CCCC3
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)C(=O)O)C(=O)N2CCOC3(C2)CCCC3

220472

PDB entries from 2024-05-29

PDB statisticsPDBj update infoContact PDBjnumon