1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-tert-butylphenyl)-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-tert-butylphenyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-tert-butylphenyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-tert-butylphenyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-4-(4-tert-butylphenyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-4-(4-tert-butylphenyl)-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H34N2O3/c1-6-7-8-22-26(20-10-12-21(13-11-20)28(3,4)5)25(27(29)31)18(2)30(22)16-19-9-14-23-24(15-19)33-17-32-23/h9-15H,6-8,16-17H2,1-5H3,(H2,29,31)