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OKF

Summary
Name:3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
Formula:C24 H21 N O2
Formal charge:0
Formula weight:355.429 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid
OpenEye OEToolkits2.0.73-(5-methyl-2,3-diphenyl-indol-1-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCn1c2ccc(C)cc2c(c2ccccc2)c1c1ccccc1
InChIInChI1.06InChI=1S/C24H21NO2/c1-17-12-13-21-20(16-17)23(18-8-4-2-5-9-18)24(19-10-6-3-7-11-19)25(21)15-14-22(26)27/h2-13,16H,14-15H2,1H3,(H,26,27)
InChIKeyInChI1.06PTAQSYCAZMXLFA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2n(CCC(O)=O)c(c3ccccc3)c(c4ccccc4)c2c1
SMILESCACTVS3.385Cc1ccc2n(CCC(O)=O)c(c3ccccc3)c(c4ccccc4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)c(c(n2CCC(=O)O)c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)c(c(n2CCC(=O)O)c3ccccc3)c4ccccc4

222415

건을2024-07-10부터공개중

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