ethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]-4-(2,5-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethanoyl]-4-(2,5-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-acetyl]-4-(2,5-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(1,3-benzodioxol-5-ylmethylamino)-1,2-dioxoethyl]-4-(2,5-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]-4-(2,5-dimethoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2,5-dimethoxyphenyl)-5-[2-keto-2-(piperonylamino)acetyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H26N2O8 MolecularWeight: 494.49324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=C(C=CC(=C2)OC)OC)C(=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=C(C=CC(=C2)OC)OC)C(=O)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C26H26N2O8/c1-5-34-26(31)21-14(2)28-23(22(21)17-11-16(32-3)7-9-18(17)33-4)24(29)25(30)27-12-15-6-8-19-20(10-15)36-13-35-19/h6-11,28H,5,12-13H2,1-4H3,(H,27,30)