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E1V

Summary
Name:ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
Formula:C23 H26 N2 O2
Formal charge:0
Formula weight:362.465 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H26N2O2/c1-2-27-23(26)22-15-20-14-19(18-10-12-24-13-11-18)8-9-21(20)25(22)16-17-6-4-3-5-7-17/h8-15,17H,2-7,16H2,1H3
InChIKeyInChI1.06NNPMKHYWTMMCKN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4
SMILESCACTVS3.385CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4
SMILESOpenEye OEToolkits2.0.7CCOC(=O)c1cc2cc(ccc2n1CC3CCCCC3)c4ccncc4

223532

PDB entries from 2024-08-07

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