1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

Systemtic Name: 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Openeye Name: 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-thiazol-2-yl-pyrrole-3-carboxamide CAS Name: 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-(2-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: 1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide Traditional Name: 5-amyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-thiazol-2-yl-pyrrole-3-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC2=CC=C(C=C2)O)C)C(=O)N)C3=NC=CS3

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC2=CC=C(C=C2)O)C)C(=O)N)C3=NC=CS3

InChI

InChI=1S/C22H27N3O2S/c1-3-4-5-6-18-20(22-24-12-14-28-22)19(21(23)27)15(2)25(18)13-11-16-7-9-17(26)10-8-16/h7-10,12,14,26H,3-6,11,13H2,1-2H3,(H2,23,27)