ethyl 5-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-methanoylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-formylpiperazin-1-yl)-2-oxo-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-formyl-1-piperazinyl)-1,2-dioxoethyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-formylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-(4-methylphenyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-formylpiperazino)-2-keto-acetyl]-2-methyl-4-(p-tolyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)N3CCN(CC3)C=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=C(C=C2)C)C(=O)C(=O)N3CCN(CC3)C=O)C

InChI

InChI=1S/C22H25N3O5/c1-4-30-22(29)17-15(3)23-19(18(17)16-7-5-14(2)6-8-16)20(27)21(28)25-11-9-24(13-26)10-12-25/h5-8,13,23H,4,9-12H2,1-3H3