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A1JPK

Summary
Name:ethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-phenyl-benzimidazole-5-carboxylate
Formula:C23 H25 N3 O3
Formal charge:0
Formula weight:391.463 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-phenyl-benzimidazole-5-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H25N3O3/c1-2-29-23(28)18-11-12-20-19(16-18)24-22(17-8-4-3-5-9-17)26(20)15-7-14-25-13-6-10-21(25)27/h3-5,8-9,11-12,16H,2,6-7,10,13-15H2,1H3
InChIKeyInChI1.06WJYNZMYLZGFWGH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)c4ccccc4
SMILESCACTVS3.385CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)c1ccc2c(c1)nc(n2CCCN3CCCC3=O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CCOC(=O)c1ccc2c(c1)nc(n2CCCN3CCCC3=O)c4ccccc4

250359

PDB entries from 2026-03-11

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