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4GE

Summary
Name:5-[BENZYL(METHYL)CARBAMOYL]-2-(3-CHLOROPHENYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
Formula:C19 H16 Cl N3 O3
Formal charge:0
Formula weight:369.802 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-[benzyl(methyl)carbamoyl]-2-(3-chlorophenyl)-1H-imidazole-4-carboxylic acid
OpenEye OEToolkits1.6.12-(3-chlorophenyl)-5-(methyl-(phenylmethyl)carbamoyl)-1H-imidazole-4-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cccc(c1)c2nc(c(n2)C(=O)N(Cc3ccccc3)C)C(=O)O
SMILES_CANONICALCACTVS3.352CN(Cc1ccccc1)C(=O)c2[nH]c(nc2C(O)=O)c3cccc(Cl)c3
SMILESCACTVS3.352CN(Cc1ccccc1)C(=O)c2[nH]c(nc2C(O)=O)c3cccc(Cl)c3
SMILES_CANONICALOpenEye OEToolkits1.6.1CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O
SMILESOpenEye OEToolkits1.6.1CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O
InChIInChI1.03InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26)
InChIKeyInChI1.03BSLQMHNPFUHRKP-UHFFFAOYSA-N

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건을2024-07-17부터공개중

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