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5A7

Summary
Name:{(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
Formula:C23 H19 N2 O4 P
Formal charge:0
Formula weight:418.382 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{(E)-2-[6-(acetylamino)-8-(naphthalen-1-yl)quinolin-2-yl]ethenyl}phosphonic acid
OpenEye OEToolkits1.9.2[(E)-2-(6-acetamido-8-naphthalen-1-yl-quinolin-2-yl)ethenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)([C@H]=[C@H]c2ccc1cc(cc(c1n2)c3cccc4ccccc34)NC(C)=O)O
InChIInChI1.03InChI=1S/C23H19N2O4P/c1-15(26)24-19-13-17-9-10-18(11-12-30(27,28)29)25-23(17)22(14-19)21-8-4-6-16-5-2-3-7-20(16)21/h2-14H,1H3,(H,24,26)(H2,27,28,29)/b12-11+
InChIKeyInChI1.03YXNCZDLAUQFYPO-VAWYXSNFSA-N
SMILES_CANONICALCACTVS3.385CC(=O)Nc1cc2ccc(/C=C/[P](O)(O)=O)nc2c(c1)c3cccc4ccccc34
SMILESCACTVS3.385CC(=O)Nc1cc2ccc(C=C[P](O)(O)=O)nc2c(c1)c3cccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)/C=C/P(=O)(O)O
SMILESOpenEye OEToolkits1.9.2CC(=O)Nc1cc2ccc(nc2c(c1)c3cccc4c3cccc4)C=CP(=O)(O)O

223532

數據於2024-08-07公開中

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