ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-methylphenyl)carbonyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-methylphenyl)carbonyl-amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-methylbenzoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[1,3-benzodioxol-5-ylmethyl-[(4-methylphenyl)-oxomethyl]amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1,3-benzodioxol-5-ylmethyl-(4-methylbenzoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[piperonyl(p-toluoyl)amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C26H28N2O5/c1-5-31-26(30)24-17(3)21(27-18(24)4)14-28(25(29)20-9-6-16(2)7-10-20)13-19-8-11-22-23(12-19)33-15-32-22/h6-12,27H,5,13-15H2,1-4H3