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LZQ

Summary
Name:4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
Formula:C24 H21 N O4
Formal charge:0
Formula weight:387.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
OpenEye OEToolkits1.5.04-[3-(bis(phenylmethyl)amino)phenyl]-2,4-dioxo-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(=O)CC(=O)c3cc(N(Cc1ccccc1)Cc2ccccc2)ccc3
SMILES_CANONICALCACTVS3.341OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3
SMILESCACTVS3.341OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O
InChIInChI1.03InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-12-7-13-21(14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,15-17H2,(H,28,29)
InChIKeyInChI1.03RMWVENXKUQXLPW-UHFFFAOYSA-N

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건을2024-07-31부터공개중

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