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UL4

Summary
Name:3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
Formula:C18 H17 N O5
Formal charge:0
Formula weight:327.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
OpenEye OEToolkits1.9.23-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC)C(=O)C
InChIInChI1.03InChI=1S/C18H17NO5/c1-3-24-16-8-7-12(11(2)20)10-15(16)19-17(21)13-5-4-6-14(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyInChI1.03GFOBMGVVDGTGAJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(C)=O
SMILESCACTVS3.385CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(C)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C
SMILESOpenEye OEToolkits1.9.2CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C

224931

PDB entries from 2024-09-11

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