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WHR

Summary
Name:6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid
Formula:C18 H13 Cl2 N O2
Formal charge:0
Formula weight:346.207 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid
OpenEye OEToolkits2.0.76-chloranyl-4-[(2-chlorophenyl)methyl]-2-methyl-quinoline-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccccc1Cc1c2cc(Cl)ccc2nc(C)c1C(=O)O
InChIInChI1.06InChI=1S/C18H13Cl2NO2/c1-10-17(18(22)23)14(8-11-4-2-3-5-15(11)20)13-9-12(19)6-7-16(13)21-10/h2-7,9H,8H2,1H3,(H,22,23)
InChIKeyInChI1.06YPDFGCUONULOEN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1nc2ccc(Cl)cc2c(Cc3ccccc3Cl)c1C(O)=O
SMILESCACTVS3.385Cc1nc2ccc(Cl)cc2c(Cc3ccccc3Cl)c1C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(c(c2cc(ccc2n1)Cl)Cc3ccccc3Cl)C(=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(c(c2cc(ccc2n1)Cl)Cc3ccccc3Cl)C(=O)O

223532

数据于2024-08-07公开中

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