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L26

Summary
Name:4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
Formula:C18 H21 N3 O4
Formal charge:0
Formula weight:343.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
OpenEye OEToolkits1.9.2N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-4-ethanoyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(ccc1)NC(c2c(c(C(C)=O)c(C)n2)CC)=O)OCC(N)=O
InChIInChI1.03InChI=1S/C18H21N3O4/c1-4-14-16(11(3)22)10(2)20-17(14)18(24)21-12-6-5-7-13(8-12)25-9-15(19)23/h5-8,20H,4,9H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeyInChI1.03CSXFLOZZMPSMKL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(OCC(N)=O)c2
SMILESCACTVS3.385CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(OCC(N)=O)c2
SMILES_CANONICALOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C
SMILESOpenEye OEToolkits1.9.2CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C

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PDB entries from 2024-10-09

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