L5J

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Summary

Name:(4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
Formula:C16 H20 O4
Formal charge:0
Molecular weight:276.328 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
OpenEye OEToolkits2.0.72-[4-[[(1~{R},2~{R})-2-(2-hydroxy-2-oxoethyl)cyclopentyl]methyl]phenyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O)=O
InChIInChI1.03InChI=1S/C16H20O4/c17-15(18)9-12-6-4-11(5-7-12)8-13-2-1-3-14(13)10-16(19)20/h4-7,13-14H,1-3,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m1/s1
InChIKeyInChI1.03QKXFMUHRVZWRPO-ZIAGYGMSSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C[C@H]1CCC[C@@H]1Cc2ccc(CC(O)=O)cc2
SMILESCACTVS3.385OC(=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O