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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-5-ethyl-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-5-ethyl-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-5-ethyl-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-tert-butylphenyl)-5-ethyl-2-methylpyrrole-3-carboxamide Traditional Name: 4-(4-tert-butylphenyl)-5-ethyl-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=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/C26H30N2O3/c1-6-20-24(18-8-10-19(11-9-18)26(3,4)5)23(25(27)29)16(2)28(20)14-17-7-12-21-22(13-17)31-15-30-21/h7-13H,6,14-15H2,1-5H3,(H2,27,29)