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SummaryGeometryRelated PDB entries

QJD

Summary
Name:[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid
Formula:C19 H21 N O2
Formal charge:0
Formula weight:295.376 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid
OpenEye OEToolkits2.0.72-(3-phenyl-4-piperidin-1-yl-phenyl)ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)Cc1cc(c(cc1)N1CCCCC1)c1ccccc1
InChIInChI1.06InChI=1S/C19H21NO2/c21-19(22)14-15-9-10-18(20-11-5-2-6-12-20)17(13-15)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,22)
InChIKeyInChI1.06HOITWFFAQWXRJD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)Cc1ccc(N2CCCCC2)c(c1)c3ccccc3
SMILESCACTVS3.385OC(=O)Cc1ccc(N2CCCCC2)c(c1)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)c2cc(ccc2N3CCCCC3)CC(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2cc(ccc2N3CCCCC3)CC(=O)O

221051

PDB entries from 2024-06-12

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