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RPM

Summary
Name:5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
Formula:C22 H21 N3 O3
Formal charge:0
Formula weight:375.42 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
OpenEye OEToolkits2.0.75-[3-(5-methyl-1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(COc2n(c1ccccc1)ncc2C(O)=O)Cc4cnc3ccc(cc34)C
InChIInChI1.03InChI=1S/C22H21N3O3/c1-15-9-10-20-18(12-15)16(13-23-20)6-5-11-28-21-19(22(26)27)14-24-25(21)17-7-3-2-4-8-17/h2-4,7-10,12-14,23H,5-6,11H2,1H3,(H,26,27)
InChIKeyInChI1.03MVRSNUITEJHBIY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc2[nH]cc(CCCOc3n(ncc3C(O)=O)c4ccccc4)c2c1
SMILESCACTVS3.385Cc1ccc2[nH]cc(CCCOc3n(ncc3C(O)=O)c4ccccc4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O
SMILESOpenEye OEToolkits2.0.7Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O

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数据于2024-07-17公开中

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