1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-2-methyl-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)-2-methyl-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-fluorophenyl)-1-homoveratryl-2-methyl-pyrrole-3-carboxamide Formula: C27H33FN2O3 MolecularWeight: 452.560923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC2=CC(=C(C=C2)OC)OC)C)C(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C27H33FN2O3/c1-5-6-7-8-22-26(20-10-12-21(28)13-11-20)25(27(29)31)18(2)30(22)16-15-19-9-14-23(32-3)24(17-19)33-4/h9-14,17H,5-8,15-16H2,1-4H3,(H2,29,31)