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V0M

Summary
Name:2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
Formula:C24 H20 Cl2 N2 O3
Formal charge:0
Formula weight:455.333 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
OpenEye OEToolkits2.0.72-[2-[2-[[2,6-bis(chloranyl)phenyl]amino]phenyl]ethanoylamino]-1,3-dihydroindene-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C4(NC(=O)Cc2c(Nc1c(cccc1Cl)Cl)cccc2)(Cc3ccccc3C4)C(=O)O
InChIInChI1.03InChI=1S/C24H20Cl2N2O3/c25-18-9-5-10-19(26)22(18)27-20-11-4-3-6-15(20)12-21(29)28-24(23(30)31)13-16-7-1-2-8-17(16)14-24/h1-11,27H,12-14H2,(H,28,29)(H,30,31)
InChIKeyInChI1.03ZBVLZAHLDOOBNG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1(Cc2ccccc2C1)NC(=O)Cc3ccccc3Nc4c(Cl)cccc4Cl
SMILESCACTVS3.385OC(=O)C1(Cc2ccccc2C1)NC(=O)Cc3ccccc3Nc4c(Cl)cccc4Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CC(C2)(C(=O)O)NC(=O)Cc3ccccc3Nc4c(cccc4Cl)Cl

222624

數據於2024-07-17公開中

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