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RA0

Summary
Name:3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid
Formula:C20 H20 N2 O2
Formal charge:0
Formula weight:320.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid
OpenEye OEToolkits2.0.43-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(CCc1cc(ccc1)N(CC)c3nc2ccccc2cc3)=O
InChIInChI1.03InChI=1S/C20H20N2O2/c1-2-22(17-8-5-6-15(14-17)10-13-20(23)24)19-12-11-16-7-3-4-9-18(16)21-19/h3-9,11-12,14H,2,10,13H2,1H3,(H,23,24)
InChIKeyInChI1.03CGGUWDMVJGUARS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(c1cccc(CCC(O)=O)c1)c2ccc3ccccc3n2
SMILESCACTVS3.385CCN(c1cccc(CCC(O)=O)c1)c2ccc3ccccc3n2
SMILES_CANONICALOpenEye OEToolkits2.0.4CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2
SMILESOpenEye OEToolkits2.0.4CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2

222415

数据于2024-07-10公开中

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