5-butyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-thiophen-3-yl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-thiophen-3-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-(3-thienyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-(3-thiophenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-(3-thienyl)pyrrole-3-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC2=CC=C(C=C2)O)C)C(=O)N)C3=CSC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC2=CC=C(C=C2)O)C)C(=O)N)C3=CSC=C3

InChI

InChI=1S/C22H26N2O2S/c1-3-4-5-19-21(17-11-13-27-14-17)20(22(23)26)15(2)24(19)12-10-16-6-8-18(25)9-7-16/h6-9,11,13-14,25H,3-5,10,12H2,1-2H3,(H2,23,26)