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Obsolete: 4RR

4RR was replaced with ROL on
Summary
Name:(4R)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
Synonyms:(R)-ROLIPRAM
Formula:C16 H21 N O3
Formal charge:0
Formula weight:275.343 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one
OpenEye OEToolkits1.5.0(4R)-4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
InChIInChI1.02bInChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1/f/h17H
InChIKeyInChI1.02bHJORMJIFDVBMOB-ZIMDTWQLDD
SMILES_CANONICALCACTVS3.341COc1ccc(cc1OC2CCCC2)[C@@H]3CNC(=O)C3
SMILESCACTVS3.341COc1ccc(cc1OC2CCCC2)[CH]3CNC(=O)C3
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3
SMILESOpenEye OEToolkits1.5.0COc1ccc(cc1OC2CCCC2)C3CC(=O)NC3

225158

PDB entries from 2024-09-18

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